N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide

C23H27ClN2O — CID 134796148

IUPACN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2cccc(CN3CCCC(NC(=O)C4CC4)C3)c2)cc1Cl
InChIInChI=1S/C23H27ClN2O/c1-16-7-8-20(13-22(16)24)19-5-2-4-17(12-19)14-26-11-3-6-21(15-26)25-23(27)18-9-10-18/h2,4-5,7-8,12-13,18,21H,3,6,9-11,14-15H2,1H3,(H,25,27)
InChIKeyBFWZXVWKLPCBSM-UHFFFAOYSA-N
MW382.94 g/mol
LogP4.81
Rot. Bonds5

About N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide

N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 134796148) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
PubChem CID134796148
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC NameN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2cccc(CN3CCCC(NC(=O)C4CC4)C3)c2)cc1Cl
InChIInChI=1S/C23H27ClN2O/c1-16-7-8-20(13-22(16)24)19-5-2-4-17(12-19)14-26-11-3-6-21(15-26)25-23(27)18-9-10-18/h2,4-5,7-8,12-13,18,21H,3,6,9-11,14-15H2,1H3,(H,25,27)
InChIKeyBFWZXVWKLPCBSM-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide (CID 134796148) is N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide is Cc1ccc(-c2cccc(CN3CCCC(NC(=O)C4CC4)C3)c2)cc1Cl.
What is the InChIKey of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is BFWZXVWKLPCBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c1-16-7-8-20(13-22(16)24)19-5-2-4-17(12-19)14-26-11-3-6-21(15-26)25-23(27)18-9-10-18/h2,4-5,7-8,12-13,18,21H,3,6,9-11,14-15H2,1H3,(H,25,27).
What are the key properties of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide?
N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 382.94 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134796148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).