(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide

C14H19BrN2O — CID 51944008

IUPAC(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
SMILESCC[C@H]1CCCN(C(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C14H19BrN2O/c1-2-11-6-5-9-17(10-11)14(18)16-13-8-4-3-7-12(13)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyFRBGXUDMBOLVDN-NSHDSACASA-N
MW311.22 g/mol
LogP4.10
Rot. Bonds2

About (3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide

(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide (PubChem CID 51944008) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is (3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
PubChem CID51944008
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
SMILESCC[C@H]1CCCN(C(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C14H19BrN2O/c1-2-11-6-5-9-17(10-11)14(18)16-13-8-4-3-7-12(13)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyFRBGXUDMBOLVDN-NSHDSACASA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate
CID 87044646
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608695
4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 107517939
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61203294
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 95326985
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide (CID 51944008) is (3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide is CC[C@H]1CCCN(C(=O)Nc2ccccc2Br)C1.
What is the InChIKey of (3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide?
The InChIKey is FRBGXUDMBOLVDN-NSHDSACASA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-11-6-5-9-17(10-11)14(18)16-13-8-4-3-7-12(13)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide?
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 51944008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).