1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride

C15H28ClN3O2 — CID 119720581

IUPAC1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCCNC(=O)C1CCN(C(=O)C2(N)CC2)CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-2-3-4-9-17-13(19)12-5-10-18(11-6-12)14(20)15(16)7-8-15;/h12H,2-11,16H2,1H3,(H,17,19);1H
InChIKeyWCMMUTIYWVVUNE-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.44
Rot. Bonds6

About 1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride

1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119720581) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
PubChem CID119720581
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCCNC(=O)C1CCN(C(=O)C2(N)CC2)CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-2-3-4-9-17-13(19)12-5-10-18(11-6-12)14(20)15(16)7-8-15;/h12H,2-11,16H2,1H3,(H,17,19);1H
InChIKeyWCMMUTIYWVVUNE-UHFFFAOYSA-N
XLogP1.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.44
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-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119289710
1-(1-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60954087
1-(1-aminocyclobutanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 81172556
1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 119288007
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591
1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide
CID 111536677
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
1-(1-aminocyclohexanecarbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119287849
1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759271
3-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 154961304
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride (CID 119720581) is 1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride is CCCCCNC(=O)C1CCN(C(=O)C2(N)CC2)CC1.Cl.
What is the InChIKey of 1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is WCMMUTIYWVVUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-2-3-4-9-17-13(19)12-5-10-18(11-6-12)14(20)15(16)7-8-15;/h12H,2-11,16H2,1H3,(H,17,19);1H.
What are the key properties of 1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride?
1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119720581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).