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

C21H31N5O — CID 72848262

IUPACN,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCC(C)c1nc(C2CCN(C(=O)N(C)C)CC2)n(CCc2ccccc2)n1
InChIInChI=1S/C21H31N5O/c1-16(2)19-22-20(18-11-13-25(14-12-18)21(27)24(3)4)26(23-19)15-10-17-8-6-5-7-9-17/h5-9,16,18H,10-15H2,1-4H3
InChIKeyFXTUUZWIBGLYSA-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.51
Rot. Bonds5

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

N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide (PubChem CID 72848262) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
PubChem CID72848262
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC NameN,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCC(C)c1nc(C2CCN(C(=O)N(C)C)CC2)n(CCc2ccccc2)n1
InChIInChI=1S/C21H31N5O/c1-16(2)19-22-20(18-11-13-25(14-12-18)21(27)24(3)4)26(23-19)15-10-17-8-6-5-7-9-17/h5-9,16,18H,10-15H2,1-4H3
InChIKeyFXTUUZWIBGLYSA-UHFFFAOYSA-N
XLogP3.51
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide (CID 72848262) is N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide is CC(C)c1nc(C2CCN(C(=O)N(C)C)CC2)n(CCc2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The InChIKey is FXTUUZWIBGLYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-16(2)19-22-20(18-11-13-25(14-12-18)21(27)24(3)4)26(23-19)15-10-17-8-6-5-7-9-17/h5-9,16,18H,10-15H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 72848262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).