3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide

C20H36N4O3 — CID 119661869

IUPAC3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
SMILESNCCCOC1CCN(C(=O)C2CCCN(C(=O)NC3CCCC3)C2)CC1
InChIInChI=1S/C20H36N4O3/c21-10-4-14-27-18-8-12-23(13-9-18)19(25)16-5-3-11-24(15-16)20(26)22-17-6-1-2-7-17/h16-18H,1-15,21H2,(H,22,26)
InChIKeyGAWAFPIYXMOMPM-UHFFFAOYSA-N
MW380.53 g/mol
LogP1.71
Rot. Bonds6

About 3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide

3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide (PubChem CID 119661869) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
PubChem CID119661869
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
SMILESNCCCOC1CCN(C(=O)C2CCCN(C(=O)NC3CCCC3)C2)CC1
InChIInChI=1S/C20H36N4O3/c21-10-4-14-27-18-8-12-23(13-9-18)19(25)16-5-3-11-24(15-16)20(26)22-17-6-1-2-7-17/h16-18H,1-15,21H2,(H,22,26)
InChIKeyGAWAFPIYXMOMPM-UHFFFAOYSA-N
XLogP1.71
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.71
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

[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 119664357
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119483653
[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 79732328
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 119664203
(3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 97080257
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide
CID 79737212
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119593119
[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
CID 81484157
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The IUPAC name of 3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide (CID 119661869) is 3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The canonical SMILES for 3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide is NCCCOC1CCN(C(=O)C2CCCN(C(=O)NC3CCCC3)C2)CC1.
What is the InChIKey of 3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The InChIKey is GAWAFPIYXMOMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c21-10-4-14-27-18-8-12-23(13-9-18)19(25)16-5-3-11-24(15-16)20(26)22-17-6-1-2-7-17/h16-18H,1-15,21H2,(H,22,26).
What are the key properties of 3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide is sourced from PubChem (CID 119661869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).