3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide

C23H27N5O — CID 75463933

IUPAC3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2cccc(Cn3cncn3)c2)C1
InChIInChI=1S/C23H27N5O/c1-23(21-9-3-2-4-10-21)11-6-12-27(16-23)22(29)25-14-19-7-5-8-20(13-19)15-28-18-24-17-26-28/h2-5,7-10,13,17-18H,6,11-12,14-16H2,1H3,(H,25,29)
InChIKeyNNHXGHXKQPCPAG-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.59
Rot. Bonds5

About 3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide

3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 75463933) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID75463933
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2cccc(Cn3cncn3)c2)C1
InChIInChI=1S/C23H27N5O/c1-23(21-9-3-2-4-10-21)11-6-12-27(16-23)22(29)25-14-19-7-5-8-20(13-19)15-28-18-24-17-26-28/h2-5,7-10,13,17-18H,6,11-12,14-16H2,1H3,(H,25,29)
InChIKeyNNHXGHXKQPCPAG-UHFFFAOYSA-N
XLogP3.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 55972310
3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761
(2R,6S)-2-ethyl-6-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 95622043
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 55769889
N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-4-methyl-4-phenylazepane-1-carboxamide
CID 126796479
N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42643842
N-[3-[[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55863137
[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
CID 119129647
1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111929935
3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55751554
3-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 3159713

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide (CID 75463933) is 3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)NCc2cccc(Cn3cncn3)c2)C1.
What is the InChIKey of 3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is NNHXGHXKQPCPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-23(21-9-3-2-4-10-21)11-6-12-27(16-23)22(29)25-14-19-7-5-8-20(13-19)15-28-18-24-17-26-28/h2-5,7-10,13,17-18H,6,11-12,14-16H2,1H3,(H,25,29).
What are the key properties of 3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 75463933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).