2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide

C19H21BrClN3O — CID 86878046

IUPAC2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCc2ccncc2)CC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C19H21BrClN3O/c20-18-2-1-15(21)13-17(18)19(25)23-16-6-11-24(12-7-16)10-5-14-3-8-22-9-4-14/h1-4,8-9,13,16H,5-7,10-12H2,(H,23,25)
InChIKeyRZCOIDRUKMQSSB-UHFFFAOYSA-N
MW422.75 g/mol
LogP3.93
Rot. Bonds5

About 2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide

2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide (PubChem CID 86878046) has the molecular formula C19H21BrClN3O and a molecular weight of 422.75 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
PubChem CID86878046
Molecular FormulaC19H21BrClN3O
Molecular Weight422.75 g/mol
Exact Mass421.06
IUPAC Name2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCc2ccncc2)CC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C19H21BrClN3O/c20-18-2-1-15(21)13-17(18)19(25)23-16-6-11-24(12-7-16)10-5-14-3-8-22-9-4-14/h1-4,8-9,13,16H,5-7,10-12H2,(H,23,25)
InChIKeyRZCOIDRUKMQSSB-UHFFFAOYSA-N
XLogP3.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119043018
2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 78904784
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
CID 119045458
4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103887689
N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 47056452
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
CID 61140773
(2R)-2-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]pentanamide
CID 95279933
2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 138034135
2-methyl-5-oxo-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 119043237
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide (CID 86878046) is 2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide is O=C(NC1CCN(CCc2ccncc2)CC1)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide?
The InChIKey is RZCOIDRUKMQSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O/c20-18-2-1-15(21)13-17(18)19(25)23-16-6-11-24(12-7-16)10-5-14-3-8-22-9-4-14/h1-4,8-9,13,16H,5-7,10-12H2,(H,23,25).
What are the key properties of 2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide?
2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide has a molecular weight of 422.75 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 86878046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).