N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide

C15H21ClN2O2 — CID 43712007

IUPACN-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCCNC2)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-10(2)20-14-6-5-12(8-13(14)16)18-15(19)11-4-3-7-17-9-11/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyJPVZYCRCYHASBC-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.07
Rot. Bonds4

About N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide

N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 43712007) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
PubChem CID43712007
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCCNC2)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-10(2)20-14-6-5-12(8-13(14)16)18-15(19)11-4-3-7-17-9-11/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyJPVZYCRCYHASBC-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300297
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119300296
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
CID 82864995
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
propan-2-yl 4-(piperidine-3-carbonylamino)benzoate
CID 43702839
N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119321700
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide (CID 43712007) is N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide is CC(C)Oc1ccc(NC(=O)C2CCCNC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is JPVZYCRCYHASBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(2)20-14-6-5-12(8-13(14)16)18-15(19)11-4-3-7-17-9-11/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43712007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).