1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide

C18H24BrN3O2 — CID 119768319

IUPAC1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide
SMILESNC1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)C1
InChIInChI=1S/C18H24BrN3O2/c19-15-3-1-2-4-16(15)21-17(23)12-7-9-22(10-8-12)18(24)13-5-6-14(20)11-13/h1-4,12-14H,5-11,20H2,(H,21,23)
InChIKeyDCWZVRKNVFUAFZ-UHFFFAOYSA-N
MW394.31 g/mol
LogP2.75
Rot. Bonds3

About 1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide

1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide (PubChem CID 119768319) has the molecular formula C18H24BrN3O2 and a molecular weight of 394.31 g/mol. Its IUPAC name is 1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide
PubChem CID119768319
Molecular FormulaC18H24BrN3O2
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide
SMILESNC1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)C1
InChIInChI=1S/C18H24BrN3O2/c19-15-3-1-2-4-16(15)21-17(23)12-7-9-22(10-8-12)18(24)13-5-6-14(20)11-13/h1-4,12-14H,5-11,20H2,(H,21,23)
InChIKeyDCWZVRKNVFUAFZ-UHFFFAOYSA-N
XLogP2.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732590
1-(3-aminocyclopentanecarbonyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119692604
N-(2-bromophenyl)-1-(piperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119314729
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide
CID 119314744
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119768326
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
N-(2-bromophenyl)-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768328

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide (CID 119768319) is 1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide is NC1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)C1.
What is the InChIKey of 1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide?
The InChIKey is DCWZVRKNVFUAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2/c19-15-3-1-2-4-16(15)21-17(23)12-7-9-22(10-8-12)18(24)13-5-6-14(20)11-13/h1-4,12-14H,5-11,20H2,(H,21,23).
What are the key properties of 1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide?
1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide has a molecular weight of 394.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119768319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).