3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide

C25H40N4O3 — CID 134804483

IUPAC3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCC1)NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C25H40N4O3/c30-23(9-8-18-4-1-2-5-18)26-21-10-12-27(13-11-21)25(32)28-15-19-14-20(17-28)22-6-3-7-24(31)29(22)16-19/h18-22H,1-17H2,(H,26,30)/t19?,20?,22-/m1/s1
InChIKeyODACNFYFIMHTIP-QETWGEEDSA-N
MW444.62 g/mol
LogP2.99
Rot. Bonds4

About 3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide

3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide (PubChem CID 134804483) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide
PubChem CID134804483
Molecular FormulaC25H40N4O3
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC Name3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCC1)NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C25H40N4O3/c30-23(9-8-18-4-1-2-5-18)26-21-10-12-27(13-11-21)25(32)28-15-19-14-20(17-28)22-6-3-7-24(31)29(22)16-19/h18-22H,1-17H2,(H,26,30)/t19?,20?,22-/m1/s1
InChIKeyODACNFYFIMHTIP-QETWGEEDSA-N
XLogP2.99
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide with MolForge

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Related Compounds

(1R,2R,9S,11S,17S)-11-[3-[(4aS,5R,11aR,11bS)-8-oxo-1,2,3,4,4a,5,6,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-5-yl]propyl]-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 155533402
Lupanine(1+)
CID 6987464
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[2-(1-isopropyl-4-piperidinyl)ethyl]butanamide
CID 110195849
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[2-(4-ethyl-1-piperazinyl)ethyl]butanamide
CID 110195859
(2R)-11-(4-acetylpiperazine-1-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804351
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[2-(1-piperidinyl)ethyl]butanamide
CID 110195814
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[3-(1-piperidinyl)propyl]butanamide
CID 110195856
7-Aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 3794202
7-Aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
CID 25201865
(1R,3AS,10AS,10BS)-N~2~-Cyclohexyl-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}octahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridine-2(3H)-carboxamide
CID 110194812
(1R,3AS,10AR,10BS)-1-{4-[(Cyclopropylmethyl)amino]-4-oxobutyl}-N-propyloctahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridine-2(3H)-carboxamide
CID 110194845
(1R,3AS,10AR,10BS)-1-{4-[(Cyclopropylmethyl)amino]-4-oxobutyl}-N-isobutyloctahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridine-2(3H)-carboxamide
CID 110194858

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide (CID 134804483) is 3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide is O=C(CCC1CCCC1)NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.
What is the InChIKey of 3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide?
The InChIKey is ODACNFYFIMHTIP-QETWGEEDSA-N. The full InChI is InChI=1S/C25H40N4O3/c30-23(9-8-18-4-1-2-5-18)26-21-10-12-27(13-11-21)25(32)28-15-19-14-20(17-28)22-6-3-7-24(31)29(22)16-19/h18-22H,1-17H2,(H,26,30)/t19?,20?,22-/m1/s1.
What are the key properties of 3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide?
3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 444.62 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 134804483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).