N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide

C15H22ClN3O2 — CID 107621761

IUPACN-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)N2CCNCC2)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-15(2,19-8-6-17-7-9-19)14(20)18-11-4-5-12(16)13(10-11)21-3/h4-5,10,17H,6-9H2,1-3H3,(H,18,20)
InChIKeyDOPARYJDFBYNLH-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.97
Rot. Bonds4

About N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 107621761) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID107621761
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)N2CCNCC2)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-15(2,19-8-6-17-7-9-19)14(20)18-11-4-5-12(16)13(10-11)21-3/h4-5,10,17H,6-9H2,1-3H3,(H,18,20)
InChIKeyDOPARYJDFBYNLH-UHFFFAOYSA-N
XLogP1.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 81490002
N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547728
2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide
CID 107621841
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide
CID 103814539
5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 107622764
N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 122148707
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 107622734
2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
CID 80548785
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961265
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 107621761) is N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide is COc1cc(NC(=O)C(C)(C)N2CCNCC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is DOPARYJDFBYNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-15(2,19-8-6-17-7-9-19)14(20)18-11-4-5-12(16)13(10-11)21-3/h4-5,10,17H,6-9H2,1-3H3,(H,18,20).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 311.81 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 107621761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).