3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide

C22H33N3O2 — CID 119763642

IUPAC3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide
SMILESCCC(C(=O)N1CCC(NC(=O)C2CCCC(N)C2)CC1)c1ccccc1
InChIInChI=1S/C22H33N3O2/c1-2-20(16-7-4-3-5-8-16)22(27)25-13-11-19(12-14-25)24-21(26)17-9-6-10-18(23)15-17/h3-5,7-8,17-20H,2,6,9-15,23H2,1H3,(H,24,26)
InChIKeyLNYPMCAKXOKXFW-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.80
Rot. Bonds5

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

3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide (PubChem CID 119763642) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide
PubChem CID119763642
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide
SMILESCCC(C(=O)N1CCC(NC(=O)C2CCCC(N)C2)CC1)c1ccccc1
InChIInChI=1S/C22H33N3O2/c1-2-20(16-7-4-3-5-8-16)22(27)25-13-11-19(12-14-25)24-21(26)17-9-6-10-18(23)15-17/h3-5,7-8,17-20H,2,6,9-15,23H2,1H3,(H,24,26)
InChIKeyLNYPMCAKXOKXFW-UHFFFAOYSA-N
XLogP2.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119763637
N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119311950
(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
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
CID 62776469
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763933
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide (CID 119763642) is 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide is CCC(C(=O)N1CCC(NC(=O)C2CCCC(N)C2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide?
The InChIKey is LNYPMCAKXOKXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-2-20(16-7-4-3-5-8-16)22(27)25-13-11-19(12-14-25)24-21(26)17-9-6-10-18(23)15-17/h3-5,7-8,17-20H,2,6,9-15,23H2,1H3,(H,24,26).
What are the key properties of 3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide?
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.80, 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]cyclohexane-1-carboxamide is sourced from PubChem (CID 119763642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).