N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide

C22H33ClN2O — CID 45237912

IUPACN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide
SMILESCN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)C1CCCCC1
InChIInChI=1S/C22H33ClN2O/c1-24(22(26)20-7-3-2-4-8-20)16-19-6-5-14-25(17-19)15-13-18-9-11-21(23)12-10-18/h9-12,19-20H,2-8,13-17H2,1H3
InChIKeyMHTPZNSLDRRDKM-UHFFFAOYSA-N
MW376.97 g/mol
LogP4.63
Rot. Bonds6

About N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide (PubChem CID 45237912) has the molecular formula C22H33ClN2O and a molecular weight of 376.97 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide
PubChem CID45237912
Molecular FormulaC22H33ClN2O
Molecular Weight376.97 g/mol
Exact Mass376.23
IUPAC NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide
SMILESCN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)C1CCCCC1
InChIInChI=1S/C22H33ClN2O/c1-24(22(26)20-7-3-2-4-8-20)16-19-6-5-14-25(17-19)15-13-18-9-11-21(23)12-10-18/h9-12,19-20H,2-8,13-17H2,1H3
InChIKeyMHTPZNSLDRRDKM-UHFFFAOYSA-N
XLogP4.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.97
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide
CID 24817190
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 45240100
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 45220091
N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 97275485
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 42191738
N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 42401637
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 42564848
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 25376126
N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
CID 25478709
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
4-chloro-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 97270147

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide (CID 45237912) is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide is CN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)C1CCCCC1.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide?
The InChIKey is MHTPZNSLDRRDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN2O/c1-24(22(26)20-7-3-2-4-8-20)16-19-6-5-14-25(17-19)15-13-18-9-11-21(23)12-10-18/h9-12,19-20H,2-8,13-17H2,1H3.
What are the key properties of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide?
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide has a molecular weight of 376.97 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 45237912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).