N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide

C23H30N4O2 — CID 91318713

IUPACN-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESCOc1cccc(C2CNCCN2N(C(=O)C2CCCCC2)c2ccccn2)c1
InChIInChI=1S/C23H30N4O2/c1-29-20-11-7-10-19(16-20)21-17-24-14-15-26(21)27(22-12-5-6-13-25-22)23(28)18-8-3-2-4-9-18/h5-7,10-13,16,18,21,24H,2-4,8-9,14-15,17H2,1H3
InChIKeySEXIOQZSBYJWSQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.57
Rot. Bonds5

About N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide

N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide (PubChem CID 91318713) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide
PubChem CID91318713
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESCOc1cccc(C2CNCCN2N(C(=O)C2CCCCC2)c2ccccn2)c1
InChIInChI=1S/C23H30N4O2/c1-29-20-11-7-10-19(16-20)21-17-24-14-15-26(21)27(22-12-5-6-13-25-22)23(28)18-8-3-2-4-9-18/h5-7,10-13,16,18,21,24H,2-4,8-9,14-15,17H2,1H3
InChIKeySEXIOQZSBYJWSQ-UHFFFAOYSA-N
XLogP3.57
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide (CID 91318713) is N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide is COc1cccc(C2CNCCN2N(C(=O)C2CCCCC2)c2ccccn2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide?
The InChIKey is SEXIOQZSBYJWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-29-20-11-7-10-19(16-20)21-17-24-14-15-26(21)27(22-12-5-6-13-25-22)23(28)18-8-3-2-4-9-18/h5-7,10-13,16,18,21,24H,2-4,8-9,14-15,17H2,1H3.
What are the key properties of N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide?
N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 91318713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).