3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride

C21H32ClN3O2 — CID 119763637

IUPAC3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCC(C(=O)N1CCC(NC(=O)C2CCC(N)C2)CC1)c1ccccc1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-2-19(15-6-4-3-5-7-15)21(26)24-12-10-18(11-13-24)23-20(25)16-8-9-17(22)14-16;/h3-7,16-19H,2,8-14,22H2,1H3,(H,23,25);1H
InChIKeyHWVAYLIFRKQMQA-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.84
Rot. Bonds5

About 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119763637) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119763637
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC Name3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCC(C(=O)N1CCC(NC(=O)C2CCC(N)C2)CC1)c1ccccc1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-2-19(15-6-4-3-5-7-15)21(26)24-12-10-18(11-13-24)23-20(25)16-8-9-17(22)14-16;/h3-7,16-19H,2,8-14,22H2,1H3,(H,23,25);1H
InChIKeyHWVAYLIFRKQMQA-UHFFFAOYSA-N
XLogP2.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763642
N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119311950
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 120791093
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide
CID 66007495
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119763637) is 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride is CCC(C(=O)N1CCC(NC(=O)C2CCC(N)C2)CC1)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is HWVAYLIFRKQMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.ClH/c1-2-19(15-6-4-3-5-7-15)21(26)24-12-10-18(11-13-24)23-20(25)16-8-9-17(22)14-16;/h3-7,16-19H,2,8-14,22H2,1H3,(H,23,25);1H.
What are the key properties of 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119763637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).