1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride

C16H30ClN3O2 — CID 119289710

IUPAC1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCN(C(=O)C2(N)CCCC2)CC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-2-3-10-18-14(20)13-6-11-19(12-7-13)15(21)16(17)8-4-5-9-16;/h13H,2-12,17H2,1H3,(H,18,20);1H
InChIKeySROYJLROINFVRM-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.83
Rot. Bonds5

About 1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride

1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119289710) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
PubChem CID119289710
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCN(C(=O)C2(N)CCCC2)CC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-2-3-10-18-14(20)13-6-11-19(12-7-13)15(21)16(17)8-4-5-9-16;/h13H,2-12,17H2,1H3,(H,18,20);1H
InChIKeySROYJLROINFVRM-UHFFFAOYSA-N
XLogP1.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581
1-(1-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60954087
1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 119288007
1-(1-aminocyclobutanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 81172556
1-(1-aminocyclohexanecarbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119287849
1-(1-aminocyclohexanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 43579511
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591
1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide
CID 111536677
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
(E)-4-[4-(butylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 60948862
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride (CID 119289710) is 1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride is CCCCNC(=O)C1CCN(C(=O)C2(N)CCCC2)CC1.Cl.
What is the InChIKey of 1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is SROYJLROINFVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-2-3-10-18-14(20)13-6-11-19(12-7-13)15(21)16(17)8-4-5-9-16;/h13H,2-12,17H2,1H3,(H,18,20);1H.
What are the key properties of 1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119289710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).