4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C17H26N4O — CID 113104600

IUPAC4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H26N4O/c22-17(19-14-15-6-8-18-9-7-15)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h6-9,16H,1-5,10-14H2,(H,19,22)
InChIKeyVQGCGNZGOAFMFQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.24
Rot. Bonds3

About 4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 113104600) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID113104600
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H26N4O/c22-17(19-14-15-6-8-18-9-7-15)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h6-9,16H,1-5,10-14H2,(H,19,22)
InChIKeyVQGCGNZGOAFMFQ-UHFFFAOYSA-N
XLogP2.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
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N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
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2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
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4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 113104600) is 4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccncc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is VQGCGNZGOAFMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-17(19-14-15-6-8-18-9-7-15)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h6-9,16H,1-5,10-14H2,(H,19,22).
What are the key properties of 4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).