N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride

C18H25BrClN3O2 — CID 119768326

IUPACN-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1Br)C1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C18H24BrN3O2.ClH/c19-15-3-1-2-4-16(15)21-18(24)14-7-9-22(10-8-14)17(23)12-20-11-13-5-6-13;/h1-4,13-14,20H,5-12H2,(H,21,24);1H
InChIKeyUOJAWLSBIFUMJK-UHFFFAOYSA-N
MW430.77 g/mol
LogP3.05
Rot. Bonds6

About N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride

N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119768326) has the molecular formula C18H25BrClN3O2 and a molecular weight of 430.77 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119768326
Molecular FormulaC18H25BrClN3O2
Molecular Weight430.77 g/mol
Exact Mass429.08
IUPAC NameN-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1Br)C1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C18H24BrN3O2.ClH/c19-15-3-1-2-4-16(15)21-18(24)14-7-9-22(10-8-14)17(23)12-20-11-13-5-6-13;/h1-4,13-14,20H,5-12H2,(H,21,24);1H
InChIKeyUOJAWLSBIFUMJK-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.77
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide
CID 119314744
N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768316
1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768106
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721
N-(2-bromophenyl)-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768328
N-(2-bromophenyl)-1-(piperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119314729
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide
CID 119768319
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride (CID 119768326) is N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1Br)C1CCN(C(=O)CNCC2CC2)CC1.
What is the InChIKey of N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is UOJAWLSBIFUMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2.ClH/c19-15-3-1-2-4-16(15)21-18(24)14-7-9-22(10-8-14)17(23)12-20-11-13-5-6-13;/h1-4,13-14,20H,5-12H2,(H,21,24);1H.
What are the key properties of N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride?
N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 430.77 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119768326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).