(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide

C15H19BrN2O2 — CID 95313879

IUPAC(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O2/c1-10-5-6-12(15(17)20)9-18(10)14(19)8-11-3-2-4-13(16)7-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H2,17,20)/t10-,12+/m0/s1
InChIKeyYPXQMWYCZAAGCW-CMPLNLGQSA-N
MW339.23 g/mol
LogP2.10
Rot. Bonds3

About (3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide

(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide (PubChem CID 95313879) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
PubChem CID95313879
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O2/c1-10-5-6-12(15(17)20)9-18(10)14(19)8-11-3-2-4-13(16)7-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H2,17,20)/t10-,12+/m0/s1
InChIKeyYPXQMWYCZAAGCW-CMPLNLGQSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 54989482
(3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94200571
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
(3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95585226
6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 122083935
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 103441123
(3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide
CID 95585501
6-methyl-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 122112816
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide (CID 95313879) is (3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide is C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of (3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is YPXQMWYCZAAGCW-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10-5-6-12(15(17)20)9-18(10)14(19)8-11-3-2-4-13(16)7-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H2,17,20)/t10-,12+/m0/s1.
What are the key properties of (3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide?
(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95313879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).