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

C19H31N5O — CID 91908947

IUPACN-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(Cc2nncn2CC2CC2)CC1
InChIInChI=1S/C19H31N5O/c25-19(21-17-4-2-1-3-5-17)23-10-8-15(9-11-23)12-18-22-20-14-24(18)13-16-6-7-16/h14-17H,1-13H2,(H,21,25)
InChIKeyOOSJDHQXUBZBNN-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.98
Rot. Bonds5

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

N-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide (PubChem CID 91908947) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide
PubChem CID91908947
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(Cc2nncn2CC2CC2)CC1
InChIInChI=1S/C19H31N5O/c25-19(21-17-4-2-1-3-5-17)23-10-8-15(9-11-23)12-18-22-20-14-24(18)13-16-6-7-16/h14-17H,1-13H2,(H,21,25)
InChIKeyOOSJDHQXUBZBNN-UHFFFAOYSA-N
XLogP2.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide (CID 91908947) is N-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(Cc2nncn2CC2CC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide?
The InChIKey is OOSJDHQXUBZBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c25-19(21-17-4-2-1-3-5-17)23-10-8-15(9-11-23)12-18-22-20-14-24(18)13-16-6-7-16/h14-17H,1-13H2,(H,21,25).
What are the key properties of N-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 91908947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).