N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide

C15H20BrClN2O2 — CID 62211576

IUPACN-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)CCC1CCNCC1
InChIInChI=1S/C15H20BrClN2O2/c1-21-15-12(16)8-11(17)9-13(15)19-14(20)3-2-10-4-6-18-7-5-10/h8-10,18H,2-7H2,1H3,(H,19,20)
InChIKeyFCKPVWAVMLFJAB-UHFFFAOYSA-N
MW375.69 g/mol
LogP3.83
Rot. Bonds5

About N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide

N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide (PubChem CID 62211576) has the molecular formula C15H20BrClN2O2 and a molecular weight of 375.69 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
PubChem CID62211576
Molecular FormulaC15H20BrClN2O2
Molecular Weight375.69 g/mol
Exact Mass374.04
IUPAC NameN-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)CCC1CCNCC1
InChIInChI=1S/C15H20BrClN2O2/c1-21-15-12(16)8-11(17)9-13(15)19-14(20)3-2-10-4-6-18-7-5-10/h8-10,18H,2-7H2,1H3,(H,19,20)
InChIKeyFCKPVWAVMLFJAB-UHFFFAOYSA-N
XLogP3.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210447
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide
CID 43704379
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604492
N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 102853722
N-(2,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210492
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide
CID 43704356
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
4-chloro-3-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210412
N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide
CID 82906740

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide (CID 62211576) is N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide is COc1c(Br)cc(Cl)cc1NC(=O)CCC1CCNCC1.
What is the InChIKey of N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is FCKPVWAVMLFJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O2/c1-21-15-12(16)8-11(17)9-13(15)19-14(20)3-2-10-4-6-18-7-5-10/h8-10,18H,2-7H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide?
N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 375.69 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62211576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).