(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide

C23H32N2O2 — CID 95906118

IUPAC(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC[C@H](C(=O)N1CCC(NC(=O)C2[C@H]3CCCC[C@@H]23)CC1)c1ccccc1
InChIInChI=1S/C23H32N2O2/c1-2-18(16-8-4-3-5-9-16)23(27)25-14-12-17(13-15-25)24-22(26)21-19-10-6-7-11-20(19)21/h3-5,8-9,17-21H,2,6-7,10-15H2,1H3,(H,24,26)/t18-,19-,20+,21?/m0/s1
InChIKeyINVBNQIOUQPAFS-CBQMWWCCSA-N
MW368.52 g/mol
LogP3.72
Rot. Bonds5

About (1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide

(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 95906118) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is (1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID95906118
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC[C@H](C(=O)N1CCC(NC(=O)C2[C@H]3CCCC[C@@H]23)CC1)c1ccccc1
InChIInChI=1S/C23H32N2O2/c1-2-18(16-8-4-3-5-9-16)23(27)25-14-12-17(13-15-25)24-22(26)21-19-10-6-7-11-20(19)21/h3-5,8-9,17-21H,2,6-7,10-15H2,1H3,(H,24,26)/t18-,19-,20+,21?/m0/s1
InChIKeyINVBNQIOUQPAFS-CBQMWWCCSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide with MolForge

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Related Compounds

N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119311950
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763642
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119763637
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
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124628014
2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
CID 60611058

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide (CID 95906118) is (1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide is CC[C@H](C(=O)N1CCC(NC(=O)C2[C@H]3CCCC[C@@H]23)CC1)c1ccccc1.
What is the InChIKey of (1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is INVBNQIOUQPAFS-CBQMWWCCSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-2-18(16-8-4-3-5-9-16)23(27)25-14-12-17(13-15-25)24-22(26)21-19-10-6-7-11-20(19)21/h3-5,8-9,17-21H,2,6-7,10-15H2,1H3,(H,24,26)/t18-,19-,20+,21?/m0/s1.
What are the key properties of (1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide?
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 95906118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).