1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide

C18H24BrN3O2 — CID 55829549

IUPAC1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCCC2c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H24BrN3O2/c19-15-5-3-13(4-6-15)16-2-1-9-22(16)12-17(23)21-10-7-14(8-11-21)18(20)24/h3-6,14,16H,1-2,7-12H2,(H2,20,24)
InChIKeyLLZFNNKTAFUWEO-UHFFFAOYSA-N
MW394.31 g/mol
LogP2.31
Rot. Bonds4

About 1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide

1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 55829549) has the molecular formula C18H24BrN3O2 and a molecular weight of 394.31 g/mol. Its IUPAC name is 1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID55829549
Molecular FormulaC18H24BrN3O2
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCCC2c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H24BrN3O2/c19-15-5-3-13(4-6-15)16-2-1-9-22(16)12-17(23)21-10-7-14(8-11-21)18(20)24/h3-6,14,16H,1-2,7-12H2,(H2,20,24)
InChIKeyLLZFNNKTAFUWEO-UHFFFAOYSA-N
XLogP2.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47019473
ethyl 1-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47010681
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
CID 47053801
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
methyl 2-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 55830194
methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 51470159
2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124966469
1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide
CID 78860854
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100848998
2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 41359979
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide (CID 55829549) is 1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN2CCCC2c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is LLZFNNKTAFUWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2/c19-15-5-3-13(4-6-15)16-2-1-9-22(16)12-17(23)21-10-7-14(8-11-21)18(20)24/h3-6,14,16H,1-2,7-12H2,(H2,20,24).
What are the key properties of 1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide?
1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 394.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55829549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).