N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide

C23H35N5O — CID 42190712

IUPACN-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide
SMILESCC(C)CN1CCC(CN(C)C(=O)c2cn(CCCc3ccccc3)nn2)CC1
InChIInChI=1S/C23H35N5O/c1-19(2)16-27-14-11-21(12-15-27)17-26(3)23(29)22-18-28(25-24-22)13-7-10-20-8-5-4-6-9-20/h4-6,8-9,18-19,21H,7,10-17H2,1-3H3
InChIKeyGFWYFOQTAIWCJU-UHFFFAOYSA-N
MW397.57 g/mol
LogP3.35
Rot. Bonds9

About N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide

N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide (PubChem CID 42190712) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide
PubChem CID42190712
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC NameN-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide
SMILESCC(C)CN1CCC(CN(C)C(=O)c2cn(CCCc3ccccc3)nn2)CC1
InChIInChI=1S/C23H35N5O/c1-19(2)16-27-14-11-21(12-15-27)17-26(3)23(29)22-18-28(25-24-22)13-7-10-20-8-5-4-6-9-20/h4-6,8-9,18-19,21H,7,10-17H2,1-3H3
InChIKeyGFWYFOQTAIWCJU-UHFFFAOYSA-N
XLogP3.35
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide
CID 45183420
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25374522
[1-(3-phenylpropyl)triazol-4-yl]-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45237482
(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25373504
[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42112383
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 136512341
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 71931378
N-[2-(azepan-1-yl)-2-phenylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
CID 45186039
N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
CID 42151013
[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42454113
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42239902

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide?
The IUPAC name of N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide (CID 42190712) is N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide is CC(C)CN1CCC(CN(C)C(=O)c2cn(CCCc3ccccc3)nn2)CC1.
What is the InChIKey of N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide?
The InChIKey is GFWYFOQTAIWCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c1-19(2)16-27-14-11-21(12-15-27)17-26(3)23(29)22-18-28(25-24-22)13-7-10-20-8-5-4-6-9-20/h4-6,8-9,18-19,21H,7,10-17H2,1-3H3.
What are the key properties of N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide?
N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide has a molecular weight of 397.57 g/mol, XLogP of 3.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1-(3-phenylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 42190712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).