(3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

C13H16BrClN2O2 — CID 129484510

IUPAC(3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(Cc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C13H16BrClN2O2/c14-11-3-2-10(15)6-9(11)7-17-5-1-4-13(19,8-17)12(16)18/h2-3,6,19H,1,4-5,7-8H2,(H2,16,18)/t13-/m0/s1
InChIKeyQYFYIJBDMOOPTE-ZDUSSCGKSA-N
MW347.64 g/mol
LogP1.91
Rot. Bonds3

About (3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

(3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 129484510) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is (3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID129484510
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name(3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(Cc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C13H16BrClN2O2/c14-11-3-2-10(15)6-9(11)7-17-5-1-4-13(19,8-17)12(16)18/h2-3,6,19H,1,4-5,7-8H2,(H2,16,18)/t13-/m0/s1
InChIKeyQYFYIJBDMOOPTE-ZDUSSCGKSA-N
XLogP1.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484116
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484115
1-[(4-bromo-2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964607
(3S)-1-[(2-bromo-4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129482461
1-[(2-bromo-5-chlorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 66155501
1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964608
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484394
1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964595
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129483740
1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964591
(3S)-1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 100647776
(3S)-3-hydroxy-1-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 100649159

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (CID 129484510) is (3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is NC(=O)[C@]1(O)CCCN(Cc2cc(Cl)ccc2Br)C1.
What is the InChIKey of (3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is QYFYIJBDMOOPTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c14-11-3-2-10(15)6-9(11)7-17-5-1-4-13(19,8-17)12(16)18/h2-3,6,19H,1,4-5,7-8H2,(H2,16,18)/t13-/m0/s1.
What are the key properties of (3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
(3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 347.64 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129484510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).