(1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide

C19H25ClN2O — CID 98540486

IUPAC(1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1[C@H]2CCC[C@H]12)C1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H25ClN2O/c1-21(19(23)18-16-3-2-4-17(16)18)14-9-11-22(12-10-14)15-7-5-13(20)6-8-15/h5-8,14,16-18H,2-4,9-12H2,1H3/t16-,17-/m0/s1
InChIKeyRBMQMTHQBVKEOR-IRXDYDNUSA-N
MW332.88 g/mol
LogP3.81
Rot. Bonds3

About (1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide

(1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 98540486) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is (1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID98540486
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name(1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1[C@H]2CCC[C@H]12)C1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H25ClN2O/c1-21(19(23)18-16-3-2-4-17(16)18)14-9-11-22(12-10-14)15-7-5-13(20)6-8-15/h5-8,14,16-18H,2-4,9-12H2,1H3/t16-,17-/m0/s1
InChIKeyRBMQMTHQBVKEOR-IRXDYDNUSA-N
XLogP3.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

(1R,5R)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 98540487
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400
2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide
CID 86887457
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
N-cyclopentyl-N-methyl-4-morpholin-4-ylbenzamide
CID 43910092
2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid
CID 82298626
N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107465822
2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol
CID 117005013
[(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone
CID 11176237
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335489
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide (CID 98540486) is (1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide is CN(C(=O)C1[C@H]2CCC[C@H]12)C1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is RBMQMTHQBVKEOR-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-21(19(23)18-16-3-2-4-17(16)18)14-9-11-22(12-10-14)15-7-5-13(20)6-8-15/h5-8,14,16-18H,2-4,9-12H2,1H3/t16-,17-/m0/s1.
What are the key properties of (1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
(1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 332.88 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 98540486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).