4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide

C19H20N4O2 — CID 113113611

IUPAC4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)c1
InChIInChI=1S/C19H20N4O2/c1-25-18-7-3-5-16(13-18)21-19(24)23-10-8-22(9-11-23)17-6-2-4-15(12-17)14-20/h2-7,12-13H,8-11H2,1H3,(H,21,24)
InChIKeyJZRJRPZSEWDULL-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.92
Rot. Bonds3

About 4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide

4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 113113611) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID113113611
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)c1
InChIInChI=1S/C19H20N4O2/c1-25-18-7-3-5-16(13-18)21-19(24)23-10-8-22(9-11-23)17-6-2-4-15(12-17)14-20/h2-7,12-13H,8-11H2,1H3,(H,21,24)
InChIKeyJZRJRPZSEWDULL-UHFFFAOYSA-N
XLogP2.92
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113114880
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
methyl 3-[[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]benzoate
CID 3810265
N,4-bis(3-methoxyphenyl)piperazine-1-carbothioamide
CID 3839532
4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112068
N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113682
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 113113611) is 4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)c1.
What is the InChIKey of 4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is JZRJRPZSEWDULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-18-7-3-5-16(13-18)21-19(24)23-10-8-22(9-11-23)17-6-2-4-15(12-17)14-20/h2-7,12-13H,8-11H2,1H3,(H,21,24).
What are the key properties of 4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).