1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide

C17H25ClN2O2 — CID 28630305

IUPAC1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
SMILESCOC[C@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O2/c1-13(12-22-2)19-17(21)14-7-9-20(10-8-14)11-15-5-3-4-6-16(15)18/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyMRNQCLVYFJPPFI-ZDUSSCGKSA-N
MW324.85 g/mol
LogP2.70
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide (PubChem CID 28630305) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
PubChem CID28630305
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
SMILESCOC[C@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O2/c1-13(12-22-2)19-17(21)14-7-9-20(10-8-14)11-15-5-3-4-6-16(15)18/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyMRNQCLVYFJPPFI-ZDUSSCGKSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 51361839
N-(1-methoxypropan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361898
N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 795617
N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 4614545
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013550
1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 133189759
N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807667
N-(1-methoxypropan-2-yl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926789
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-methylbutan-1-one
CID 155674278
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide (CID 28630305) is 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide is COC[C@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
The InChIKey is MRNQCLVYFJPPFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(12-22-2)19-17(21)14-7-9-20(10-8-14)11-15-5-3-4-6-16(15)18/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide has a molecular weight of 324.85 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 28630305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).