3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide

C16H23ClN2O2 — CID 46743863

IUPAC3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(OCc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O2/c1-12(2)18-16(20)19-9-5-7-14(10-19)21-11-13-6-3-4-8-15(13)17/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3,(H,18,20)
InChIKeyVLOCSRJTNKOCCL-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.44
Rot. Bonds4

About 3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide

3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 46743863) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID46743863
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(OCc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O2/c1-12(2)18-16(20)19-9-5-7-14(10-19)21-11-13-6-3-4-8-15(13)17/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3,(H,18,20)
InChIKeyVLOCSRJTNKOCCL-UHFFFAOYSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Vtp-27999
CID 16126898
Methyl (2-{(R)-(3-Chlorophenyl)[(3r)-1-({(2s)-1-(Methylamino)-3-[(3r)-Tetrahydro-2h-Pyran-3-Yl]propan-2-Yl}carbamoyl)piperidin-3-Yl]methoxy}ethyl)carbamate
CID 53497561
Piperidine-1-carboxamide, 7c
CID 44143376
Piperidine-1-carboxamide, 7i
CID 44143382
Morpholine-4-carboxylic acid (1-{[(2-chloro-benzyloxymethyl)-cyano-methyl]-carbamoyl}-3-methyl-butyl)-amide
CID 11732856
methyl 2-((R)-((R)-1-((S)-1-amino-3-cyclohexylpropan-2-ylcarbamoyl)piperidin-3-yl)(3-chlorophenyl)methoxy)ethylcarbamate
CID 16717887
methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cyclohexyl-3-(methylamino)propan-2-ylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate
CID 46191161
methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cyclohexyl-3-(ethylamino)propan-2-ylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate
CID 46224925
1-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-1,3-diazinan-2-one;hydrochloride
CID 66976607
Methyl 2-((r)-(3-chlorophenyl)((r)-1-((s)-1-(methylamino)-3-((s)-tetrahydro-2h-pyran-3-yl)propan-2-ylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate
CID 58017410
2-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
CID 134144201
[(2S)-1-[[(3R)-3-[(R)-(3-chlorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]piperidine-1-carbonyl]amino]-3-[(3R)-oxan-3-yl]propan-2-yl]-methylazanium
CID 72200382

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide (CID 46743863) is 3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(OCc2ccccc2Cl)C1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is VLOCSRJTNKOCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12(2)18-16(20)19-9-5-7-14(10-19)21-11-13-6-3-4-8-15(13)17/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3,(H,18,20).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide?
3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 46743863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).