N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide

C20H35N5O — CID 46987642

IUPACN-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide
SMILESCC(C)Cc1cn(CC2CCCN(C(=O)NC3CCCCCC3)C2)nn1
InChIInChI=1S/C20H35N5O/c1-16(2)12-19-15-25(23-22-19)14-17-8-7-11-24(13-17)20(26)21-18-9-5-3-4-6-10-18/h15-18H,3-14H2,1-2H3,(H,21,26)
InChIKeyHMKYTSYAZGOPRG-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.62
Rot. Bonds5

About N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide

N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 46987642) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide
PubChem CID46987642
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC NameN-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide
SMILESCC(C)Cc1cn(CC2CCCN(C(=O)NC3CCCCCC3)C2)nn1
InChIInChI=1S/C20H35N5O/c1-16(2)12-19-15-25(23-22-19)14-17-8-7-11-24(13-17)20(26)21-18-9-5-3-4-6-10-18/h15-18H,3-14H2,1-2H3,(H,21,26)
InChIKeyHMKYTSYAZGOPRG-UHFFFAOYSA-N
XLogP3.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide (CID 46987642) is N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide is CC(C)Cc1cn(CC2CCCN(C(=O)NC3CCCCCC3)C2)nn1.
What is the InChIKey of N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is HMKYTSYAZGOPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-16(2)12-19-15-25(23-22-19)14-17-8-7-11-24(13-17)20(26)21-18-9-5-3-4-6-10-18/h15-18H,3-14H2,1-2H3,(H,21,26).
What are the key properties of N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46987642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).