1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

C23H29ClN2O2 — CID 134800907

IUPAC1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(Cc2ccccc2-c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C23H29ClN2O2/c1-17-7-8-19(15-22(17)24)21-6-4-3-5-20(21)16-26-12-9-18(10-13-26)23(27)25-11-14-28-2/h3-8,15,18H,9-14,16H2,1-2H3,(H,25,27)
InChIKeyVLSUAHFCNSOYGP-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.29
Rot. Bonds7

About 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 134800907) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID134800907
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(Cc2ccccc2-c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C23H29ClN2O2/c1-17-7-8-19(15-22(17)24)21-6-4-3-5-20(21)16-26-12-9-18(10-13-26)23(27)25-11-14-28-2/h3-8,15,18H,9-14,16H2,1-2H3,(H,25,27)
InChIKeyVLSUAHFCNSOYGP-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]propanamide
CID 46931852
methyl N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]carbamate
CID 46931947
ethyl N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]carbamate
CID 46931948
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]-2-methoxyacetamide
CID 46931949
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
CID 56962365
3-[1-(biphenyl-4-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 23724040
1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 44528938
1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 44528940
N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide
CID 46890911
N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 46890960
2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46890977
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide;hydrochloride
CID 56962364

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 134800907) is 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(Cc2ccccc2-c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is VLSUAHFCNSOYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-17-7-8-19(15-22(17)24)21-6-4-3-5-20(21)16-26-12-9-18(10-13-26)23(27)25-11-14-28-2/h3-8,15,18H,9-14,16H2,1-2H3,(H,25,27).
What are the key properties of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 400.95 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134800907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).