N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride

C16H22BrClN2O — CID 119284886

IUPACN-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(C1CCCNC1)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C16H21BrN2O.ClH/c17-14-5-1-3-12(9-14)11-19(15-6-7-15)16(20)13-4-2-8-18-10-13;/h1,3,5,9,13,15,18H,2,4,6-8,10-11H2;1H
InChIKeyVURLVPYANGXCKZ-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.36
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride

N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119284886) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
PubChem CID119284886
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC NameN-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(C1CCCNC1)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C16H21BrN2O.ClH/c17-14-5-1-3-12(9-14)11-19(15-6-7-15)16(20)13-4-2-8-18-10-13;/h1,3,5,9,13,15,18H,2,4,6-8,10-11H2;1H
InChIKeyVURLVPYANGXCKZ-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715258
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119740768
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119318107
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718
N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55149693

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride (CID 119284886) is N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride is Cl.O=C(C1CCCNC1)N(Cc1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is VURLVPYANGXCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O.ClH/c17-14-5-1-3-12(9-14)11-19(15-6-7-15)16(20)13-4-2-8-18-10-13;/h1,3,5,9,13,15,18H,2,4,6-8,10-11H2;1H.
What are the key properties of N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride?
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 373.72 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119284886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).