(3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C19H23ClN2O2 — CID 172890641

IUPAC(3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCC1CCN(C(=O)C23CC2CN(C(=O)c2cccc(Cl)c2)C3)CC1
InChIInChI=1S/C19H23ClN2O2/c1-13-5-7-21(8-6-13)18(24)19-10-15(19)11-22(12-19)17(23)14-3-2-4-16(20)9-14/h2-4,9,13,15H,5-8,10-12H2,1H3
InChIKeyUROFCUYXSGADHR-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.06
Rot. Bonds2

About (3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

(3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 172890641) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID172890641
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCC1CCN(C(=O)C23CC2CN(C(=O)c2cccc(Cl)c2)C3)CC1
InChIInChI=1S/C19H23ClN2O2/c1-13-5-7-21(8-6-13)18(24)19-10-15(19)11-22(12-19)17(23)14-3-2-4-16(20)9-14/h2-4,9,13,15H,5-8,10-12H2,1H3
InChIKeyUROFCUYXSGADHR-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone
CID 98815728
(3aR,6aR)-5-(3-chlorobenzoyl)-2-cyclopentyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133120155
(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
CID 807187
(3aS,7aS)-2-(3-chlorobenzoyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627301
(3aS,6aS)-5-(3-chlorobenzoyl)-2-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 164639833
(3-chlorophenyl)-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2911932
[(3aR,8aR)-1-methyl-3a-(morpholine-4-carbonyl)-3,4,5,7,8,8a-hexahydro-2H-pyrrolo[2,3-d]azepin-6-yl]-(3-chlorophenyl)methanone
CID 155901432
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
3-chloro-N-(4-methylpiperidine-1-carbothioyl)benzamide
CID 4940435
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 172890641) is (3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is CC1CCN(C(=O)C23CC2CN(C(=O)c2cccc(Cl)c2)C3)CC1.
What is the InChIKey of (3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is UROFCUYXSGADHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13-5-7-21(8-6-13)18(24)19-10-15(19)11-22(12-19)17(23)14-3-2-4-16(20)9-14/h2-4,9,13,15H,5-8,10-12H2,1H3.
What are the key properties of (3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
(3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 346.86 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 172890641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).