(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide

C16H22Cl2N2O — CID 93490056

IUPAC(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)19-16(21)12-5-4-8-20(9-12)10-13-14(17)6-3-7-15(13)18/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyXBTLISYDHXGXSU-GFCCVEGCSA-N
MW329.27 g/mol
LogP3.73
Rot. Bonds4

About (3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide

(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 93490056) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is (3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID93490056
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)19-16(21)12-5-4-8-20(9-12)10-13-14(17)6-3-7-15(13)18/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyXBTLISYDHXGXSU-GFCCVEGCSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
N-[1-(4-chlorophenyl)ethyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 133260443
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 43921338
(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 93491358
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 93492205
1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925323

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide (CID 93490056) is (3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is XBTLISYDHXGXSU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-11(2)19-16(21)12-5-4-8-20(9-12)10-13-14(17)6-3-7-15(13)18/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 93490056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).