3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide

C29H55ClN6O2 — CID 155150733

IUPAC3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide
SMILESCC(C)(O)C1CCN(C2CCNCC2NC(=O)C(C(N)N)C2CC3(CCCCCC3)CCC(Cl)CN2)CC1
InChIInChI=1S/C29H55ClN6O2/c1-28(2,38)20-9-15-36(16-10-20)24-8-14-33-19-23(24)35-27(37)25(26(31)32)22-17-29(11-5-3-4-6-12-29)13-7-21(30)18-34-22/h20-26,33-34,38H,3-19,31-32H2,1-2H3,(H,35,37)
InChIKeyYEDZHYAMQWQDLW-UHFFFAOYSA-N
MW555.25 g/mol
LogP2.27
Rot. Bonds6

About 3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide

3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide (PubChem CID 155150733) has the molecular formula C29H55ClN6O2 and a molecular weight of 555.25 g/mol. Its IUPAC name is 3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide
PubChem CID155150733
Molecular FormulaC29H55ClN6O2
Molecular Weight555.25 g/mol
Exact Mass554.41
IUPAC Name3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide
SMILESCC(C)(O)C1CCN(C2CCNCC2NC(=O)C(C(N)N)C2CC3(CCCCCC3)CCC(Cl)CN2)CC1
InChIInChI=1S/C29H55ClN6O2/c1-28(2,38)20-9-15-36(16-10-20)24-8-14-33-19-23(24)35-27(37)25(26(31)32)22-17-29(11-5-3-4-6-12-29)13-7-21(30)18-34-22/h20-26,33-34,38H,3-19,31-32H2,1-2H3,(H,35,37)
InChIKeyYEDZHYAMQWQDLW-UHFFFAOYSA-N
XLogP2.27
TPSA128.67 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.25
LogP ≤ 52.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-diamino-N-[4-(2,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-2-(10-fluoro-8-azaspiro[4.7]dodecan-7-yl)propanamide
CID 138645891
3,3-diamino-2-(10-fluoro-8-azaspiro[4.7]dodecan-7-yl)-N-[4-[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]piperidin-3-yl]propanamide
CID 138645755
3,3-diamino-N-[5-chloro-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)piperidin-3-yl]-2-(11-fluoro-9-azaspiro[5.7]tridecan-8-yl)propanamide
CID 155150666
3,3-diamino-N-[5-chloro-4-[4-[hydroxy(piperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-yl]-2-(12-fluoro-10-azaspiro[6.8]pentadecan-9-yl)propanamide
CID 123154230
3,3-diamino-2-(10-fluoro-8-azaspiro[4.7]dodecan-7-yl)-N-[5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]propanamide
CID 134321523
3,3-diamino-2-(1-ethyl-6-fluoro-8-propyl-4-azabicyclo[6.1.0]nonan-3-yl)-N-[4-[4-(3-fluoroazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]propanamide
CID 123631211
3,3-diamino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)piperidin-3-yl]-2-(12-fluoro-10-azaspiro[6.7]tetradeca-10,11-dien-9-yl)propanamide
CID 155150911
N-[4-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]piperidin-3-yl]-3,3-diamino-2-(11-fluoro-9-azaspiro[5.7]trideca-9,10-dien-8-yl)propanamide
CID 155151067
3,3-diamino-2-[(11E)-11-fluoro-9-azaspiro[5.7]tridec-11-en-8-yl]-N-[5-fluoro-4-[4-(1-methylpiperidin-4-yl)sulfonylpiperazin-1-yl]piperidin-3-yl]propanamide
CID 155150588
3,3-diamino-N-[4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-5-propylpiperidin-3-yl]-2-(10-fluoro-8-azaspiro[4.7]dodecan-7-yl)propanamide
CID 155150701
3,3-diamino-2-(6-butyl-3-chloro-1-azabicyclo[4.2.0]octan-8-yl)-N-[4-[3-(dimethylamino)piperidin-1-yl]piperidin-3-yl]propanamide
CID 155150607
3,3-diamino-N-[6-cyclohexyl-4-(4-methoxypiperidin-1-yl)piperidin-3-yl]-2-[(12Z)-11-fluoro-9-azaspiro[5.7]tridec-12-en-8-yl]propanamide
CID 155151048

Frequently Asked Questions

What is the IUPAC name of 3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide?
The IUPAC name of 3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide (CID 155150733) is 3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide?
The canonical SMILES for 3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide is CC(C)(O)C1CCN(C2CCNCC2NC(=O)C(C(N)N)C2CC3(CCCCCC3)CCC(Cl)CN2)CC1.
What is the InChIKey of 3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide?
The InChIKey is YEDZHYAMQWQDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55ClN6O2/c1-28(2,38)20-9-15-36(16-10-20)24-8-14-33-19-23(24)35-27(37)25(26(31)32)22-17-29(11-5-3-4-6-12-29)13-7-21(30)18-34-22/h20-26,33-34,38H,3-19,31-32H2,1-2H3,(H,35,37).
What are the key properties of 3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide?
3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide has a molecular weight of 555.25 g/mol, XLogP of 2.27, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diamino-2-(12-chloro-10-azaspiro[6.7]tetradecan-9-yl)-N-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 155150733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).