N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide

C14H19BrN2O — CID 2681799

IUPACN-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(CC(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O/c1-11-4-3-7-17(9-11)10-14(18)16-13-6-2-5-12(15)8-13/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyDDAVUVXBNFATHQ-NSHDSACASA-N
MW311.22 g/mol
LogP3.12
Rot. Bonds3

About N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide

N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (PubChem CID 2681799) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
PubChem CID2681799
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(CC(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O/c1-11-4-3-7-17(9-11)10-14(18)16-13-6-2-5-12(15)8-13/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyDDAVUVXBNFATHQ-NSHDSACASA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648071
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (CID 2681799) is N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is C[C@H]1CCCN(CC(=O)Nc2cccc(Br)c2)C1.
What is the InChIKey of N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is DDAVUVXBNFATHQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-11-4-3-7-17(9-11)10-14(18)16-13-6-2-5-12(15)8-13/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 311.22 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 2681799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).