1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C15H20BrN3O2 — CID 42996473

IUPAC1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H20BrN3O2/c1-10(19-8-6-11(7-9-19)14(17)20)15(21)18-13-4-2-12(16)3-5-13/h2-5,10-11H,6-9H2,1H3,(H2,17,20)(H,18,21)
InChIKeyFTKYHKAFTJLVNV-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.97
Rot. Bonds4

About 1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 42996473) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID42996473
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H20BrN3O2/c1-10(19-8-6-11(7-9-19)14(17)20)15(21)18-13-4-2-12(16)3-5-13/h2-5,10-11H,6-9H2,1H3,(H2,17,20)(H,18,21)
InChIKeyFTKYHKAFTJLVNV-UHFFFAOYSA-N
XLogP1.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641
1-[1-[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 94878702
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
(2S)-N-(4-bromophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30998316
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927379
1-[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8530599
(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096677
N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 42996473) is 1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is CC(C(=O)Nc1ccc(Br)cc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is FTKYHKAFTJLVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10(19-8-6-11(7-9-19)14(17)20)15(21)18-13-4-2-12(16)3-5-13/h2-5,10-11H,6-9H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42996473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).