2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride

C21H32ClN3O2 — CID 119763651

IUPAC2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCCC(C(=O)N1CCC(NC(=O)CNCC2CC2)CC1)c1ccccc1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-2-19(17-6-4-3-5-7-17)21(26)24-12-10-18(11-13-24)23-20(25)15-22-14-16-8-9-16;/h3-7,16,18-19,22H,2,8-15H2,1H3,(H,23,25);1H
InChIKeyBUHUSQXTKAJZRV-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.71
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride (PubChem CID 119763651) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
PubChem CID119763651
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCCC(C(=O)N1CCC(NC(=O)CNCC2CC2)CC1)c1ccccc1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-2-19(17-6-4-3-5-7-17)21(26)24-12-10-18(11-13-24)23-20(25)15-22-14-16-8-9-16;/h3-7,16,18-19,22H,2,8-15H2,1H3,(H,23,25);1H
InChIKeyBUHUSQXTKAJZRV-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119763637
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
2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
CID 60611058
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119311950
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 119698223
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124628014
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763642

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride (CID 119763651) is 2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride is CCC(C(=O)N1CCC(NC(=O)CNCC2CC2)CC1)c1ccccc1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride?
The InChIKey is BUHUSQXTKAJZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.ClH/c1-2-19(17-6-4-3-5-7-17)21(26)24-12-10-18(11-13-24)23-20(25)15-22-14-16-8-9-16;/h3-7,16,18-19,22H,2,8-15H2,1H3,(H,23,25);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 119763651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).