N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide

C22H42N4O2 — CID 90442251

IUPACN-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide
SMILESCCCCCNC(=O)CCN1CCC(C2CCN(CCC(=O)NC)CC2)CC1
InChIInChI=1S/C22H42N4O2/c1-3-4-5-12-24-22(28)11-18-26-15-8-20(9-16-26)19-6-13-25(14-7-19)17-10-21(27)23-2/h19-20H,3-18H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyKRLPYVKVSFOUOV-UHFFFAOYSA-N
MW394.60 g/mol
LogP2.24
Rot. Bonds11

About N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide

N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide (PubChem CID 90442251) has the molecular formula C22H42N4O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide
PubChem CID90442251
Molecular FormulaC22H42N4O2
Molecular Weight394.60 g/mol
Exact Mass394.33
IUPAC NameN-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide
SMILESCCCCCNC(=O)CCN1CCC(C2CCN(CCC(=O)NC)CC2)CC1
InChIInChI=1S/C22H42N4O2/c1-3-4-5-12-24-22(28)11-18-26-15-8-20(9-16-26)19-6-13-25(14-7-19)17-10-21(27)23-2/h19-20H,3-18H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyKRLPYVKVSFOUOV-UHFFFAOYSA-N
XLogP2.24
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide
CID 90442249
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
CID 109017998
3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
CID 156820113
N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide
CID 165361675
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide
CID 165007896
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide?
The IUPAC name of N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide (CID 90442251) is N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide is CCCCCNC(=O)CCN1CCC(C2CCN(CCC(=O)NC)CC2)CC1.
What is the InChIKey of N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide?
The InChIKey is KRLPYVKVSFOUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O2/c1-3-4-5-12-24-22(28)11-18-26-15-8-20(9-16-26)19-6-13-25(14-7-19)17-10-21(27)23-2/h19-20H,3-18H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide?
N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide has a molecular weight of 394.60 g/mol, XLogP of 2.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 90442251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).