1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide

C17H24BrN3O2 — CID 9443034

IUPAC1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3O2/c1-2-15(12-3-5-14(18)6-4-12)20-16(22)11-21-9-7-13(8-10-21)17(19)23/h3-6,13,15H,2,7-11H2,1H3,(H2,19,23)(H,20,22)/t15-/m0/s1
InChIKeyOBNKTUXIRISIPV-HNNXBMFYSA-N
MW382.30 g/mol
LogP2.21
Rot. Bonds6

About 1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 9443034) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID9443034
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3O2/c1-2-15(12-3-5-14(18)6-4-12)20-16(22)11-21-9-7-13(8-10-21)17(19)23/h3-6,13,15H,2,7-11H2,1H3,(H2,19,23)(H,20,22)/t15-/m0/s1
InChIKeyOBNKTUXIRISIPV-HNNXBMFYSA-N
XLogP2.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30736722
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 51926082
1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557005
1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907579
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
(3S)-1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9305169
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-bromophenyl)propyl]propanamide
CID 46418106
N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51709582
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide (CID 9443034) is 1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide is CC[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is OBNKTUXIRISIPV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-2-15(12-3-5-14(18)6-4-12)20-16(22)11-21-9-7-13(8-10-21)17(19)23/h3-6,13,15H,2,7-11H2,1H3,(H2,19,23)(H,20,22)/t15-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 9443034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).