(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

C18H26Cl2N2O — CID 93492247

IUPAC(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C18H26Cl2N2O/c1-3-6-13(2)21-18(23)14-7-5-10-22(11-14)12-15-16(19)8-4-9-17(15)20/h4,8-9,13-14H,3,5-7,10-12H2,1-2H3,(H,21,23)/t13-,14-/m1/s1
InChIKeyPCUPHPKLQRMQLM-ZIAGYGMSSA-N
MW357.33 g/mol
LogP4.51
Rot. Bonds6

About (3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (PubChem CID 93492247) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is (3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
PubChem CID93492247
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C18H26Cl2N2O/c1-3-6-13(2)21-18(23)14-7-5-10-22(11-14)12-15-16(19)8-4-9-17(15)20/h4,8-9,13-14H,3,5-7,10-12H2,1-2H3,(H,21,23)/t13-,14-/m1/s1
InChIKeyPCUPHPKLQRMQLM-ZIAGYGMSSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
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
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672
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
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (CID 93492247) is (3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide is CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The InChIKey is PCUPHPKLQRMQLM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-3-6-13(2)21-18(23)14-7-5-10-22(11-14)12-15-16(19)8-4-9-17(15)20/h4,8-9,13-14H,3,5-7,10-12H2,1-2H3,(H,21,23)/t13-,14-/m1/s1.
What are the key properties of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide has a molecular weight of 357.33 g/mol, XLogP of 4.51, 6 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-[(2R)-pentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 93492247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).