1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

C23H27ClN2O2 — CID 55945200

IUPAC1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCOc1cccc(CN2CCC(NC(=O)C3(c4cccc(Cl)c4)CC3)CC2)c1
InChIInChI=1S/C23H27ClN2O2/c1-28-21-7-2-4-17(14-21)16-26-12-8-20(9-13-26)25-22(27)23(10-11-23)18-5-3-6-19(24)15-18/h2-7,14-15,20H,8-13,16H2,1H3,(H,25,27)
InChIKeyDHSRFCIOMOWGSB-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.16
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 55945200) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID55945200
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCOc1cccc(CN2CCC(NC(=O)C3(c4cccc(Cl)c4)CC3)CC2)c1
InChIInChI=1S/C23H27ClN2O2/c1-28-21-7-2-4-17(14-21)16-26-12-8-20(9-13-26)25-22(27)23(10-11-23)18-5-3-6-19(24)15-18/h2-7,14-15,20H,8-13,16H2,1H3,(H,25,27)
InChIKeyDHSRFCIOMOWGSB-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 90990967
1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 91229708
1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55745166
1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55957750
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 56568898
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 55945836
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dimethylpent-4-enamide
CID 126796768

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (CID 55945200) is 1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is COc1cccc(CN2CCC(NC(=O)C3(c4cccc(Cl)c4)CC3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is DHSRFCIOMOWGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-28-21-7-2-4-17(14-21)16-26-12-8-20(9-13-26)25-22(27)23(10-11-23)18-5-3-6-19(24)15-18/h2-7,14-15,20H,8-13,16H2,1H3,(H,25,27).
What are the key properties of 1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55945200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).