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

C14H23N5O — CID 49442005

IUPACN-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1nnc(CN2CCCC(C(=O)NC3CC3)C2)n1C
InChIInChI=1S/C14H23N5O/c1-10-16-17-13(18(10)2)9-19-7-3-4-11(8-19)14(20)15-12-5-6-12/h11-12H,3-9H2,1-2H3,(H,15,20)
InChIKeyKGRBGZLPAUFSBX-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.61
Rot. Bonds4

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

N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 49442005) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID49442005
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1nnc(CN2CCCC(C(=O)NC3CC3)C2)n1C
InChIInChI=1S/C14H23N5O/c1-10-16-17-13(18(10)2)9-19-7-3-4-11(8-19)14(20)15-12-5-6-12/h11-12H,3-9H2,1-2H3,(H,15,20)
InChIKeyKGRBGZLPAUFSBX-UHFFFAOYSA-N
XLogP0.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (CID 49442005) is N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is Cc1nnc(CN2CCCC(C(=O)NC3CC3)C2)n1C.
What is the InChIKey of N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is KGRBGZLPAUFSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-16-17-13(18(10)2)9-19-7-3-4-11(8-19)14(20)15-12-5-6-12/h11-12H,3-9H2,1-2H3,(H,15,20).
What are the key properties of N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 49442005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).