4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

C19H22ClN3O2 — CID 6470831

IUPAC4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-25-18-8-6-17(7-9-18)21-19(24)23-12-10-22(11-13-23)14-15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyQYHKZNARUCDNFO-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.70
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 6470831) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID6470831
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-25-18-8-6-17(7-9-18)21-19(24)23-12-10-22(11-13-23)14-15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyQYHKZNARUCDNFO-UHFFFAOYSA-N
XLogP3.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
N-(4-chlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 31773245
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 17478962
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 17299501

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 6470831) is 4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is QYHKZNARUCDNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-25-18-8-6-17(7-9-18)21-19(24)23-12-10-22(11-13-23)14-15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6470831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).