N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide

C15H22ClN3O2 — CID 122148707

IUPACN-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(C(C)C)CC2)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-11(2)18-6-8-19(9-7-18)15(20)17-12-4-5-13(16)14(10-12)21-3/h4-5,10-11H,6-9H2,1-3H3,(H,17,20)
InChIKeyZBBUSMDJOLVQKS-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.91
Rot. Bonds3

About N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide

N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 122148707) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID122148707
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(C(C)C)CC2)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-11(2)18-6-8-19(9-7-18)15(20)17-12-4-5-13(16)14(10-12)21-3/h4-5,10-11H,6-9H2,1-3H3,(H,17,20)
InChIKeyZBBUSMDJOLVQKS-UHFFFAOYSA-N
XLogP2.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
1-[(4-chloro-3-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103008
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide
CID 10163775
methyl (2S)-2-(2-chlorophenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperazin-1-yl]acetate
CID 97254392
N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17148611
2-(4-chloro-3-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 107621589
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 25478294

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide (CID 122148707) is N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(C(C)C)CC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is ZBBUSMDJOLVQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-11(2)18-6-8-19(9-7-18)15(20)17-12-4-5-13(16)14(10-12)21-3/h4-5,10-11H,6-9H2,1-3H3,(H,17,20).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 122148707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).