(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide

C13H16Cl2N2O — CID 94705337

IUPAC(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C13H16Cl2N2O/c14-11-4-3-9(12(15)6-11)8-17-13(18)10-2-1-5-16-7-10/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18)/t10-/m1/s1
InChIKeyBIQQOAZDVYCETP-SNVBAGLBSA-N
MW287.19 g/mol
LogP2.61
Rot. Bonds3

About (3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide

(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 94705337) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID94705337
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C13H16Cl2N2O/c14-11-4-3-9(12(15)6-11)8-17-13(18)10-2-1-5-16-7-10/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18)/t10-/m1/s1
InChIKeyBIQQOAZDVYCETP-SNVBAGLBSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[(2,4-dichlorophenyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 84925742
N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006866
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide
CID 110482453

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 94705337) is (3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is BIQQOAZDVYCETP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-11-4-3-9(12(15)6-11)8-17-13(18)10-2-1-5-16-7-10/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18)/t10-/m1/s1.
What are the key properties of (3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94705337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).