1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

C16H27N5O — CID 50977796

IUPAC1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2CCCN(C3CCCCC3)C2)n[nH]1
InChIInChI=1S/C16H27N5O/c1-12-18-15(20-19-12)10-17-16(22)13-6-5-9-21(11-13)14-7-3-2-4-8-14/h13-14H,2-11H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyCTNYQPPEUCJEOE-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.77
Rot. Bonds4

About 1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 50977796) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID50977796
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2CCCN(C3CCCCC3)C2)n[nH]1
InChIInChI=1S/C16H27N5O/c1-12-18-15(20-19-12)10-17-16(22)13-6-5-9-21(11-13)14-7-3-2-4-8-14/h13-14H,2-11H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyCTNYQPPEUCJEOE-UHFFFAOYSA-N
XLogP1.77
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (CID 50977796) is 1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is Cc1nc(CNC(=O)C2CCCN(C3CCCCC3)C2)n[nH]1.
What is the InChIKey of 1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is CTNYQPPEUCJEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12-18-15(20-19-12)10-17-16(22)13-6-5-9-21(11-13)14-7-3-2-4-8-14/h13-14H,2-11H2,1H3,(H,17,22)(H,18,19,20).
What are the key properties of 1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 50977796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).