N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C20H23BrN2O2S — CID 112827070

IUPACN-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C20H23BrN2O2S/c1-14(13-15-7-9-16(21)10-8-15)22-19(24)17-5-2-3-11-23(17)20(25)18-6-4-12-26-18/h4,6-10,12,14,17H,2-3,5,11,13H2,1H3,(H,22,24)
InChIKeyHCZGGUZVZVYZKP-UHFFFAOYSA-N
MW435.39 g/mol
LogP4.25
Rot. Bonds5

About N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 112827070) has the molecular formula C20H23BrN2O2S and a molecular weight of 435.39 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID112827070
Molecular FormulaC20H23BrN2O2S
Molecular Weight435.39 g/mol
Exact Mass434.07
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C20H23BrN2O2S/c1-14(13-15-7-9-16(21)10-8-15)22-19(24)17-5-2-3-11-23(17)20(25)18-6-4-12-26-18/h4,6-10,12,14,17H,2-3,5,11,13H2,1H3,(H,22,24)
InChIKeyHCZGGUZVZVYZKP-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78768339
(2S)-N-[(2R)-octan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 96563528
(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 97185302
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
(2R)-4-methyl-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 119364822
N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 136580816
2-methyl-3-[4-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]propanoic acid
CID 120540851
2-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119224134
N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119589432
N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844765

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 112827070) is N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CC(Cc1ccc(Br)cc1)NC(=O)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is HCZGGUZVZVYZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2S/c1-14(13-15-7-9-16(21)10-8-15)22-19(24)17-5-2-3-11-23(17)20(25)18-6-4-12-26-18/h4,6-10,12,14,17H,2-3,5,11,13H2,1H3,(H,22,24).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 435.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 112827070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).