N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide

C20H29N5O — CID 139008017

IUPACN-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide
SMILESCN(C(=O)c1cn(C(C)(C)C)nn1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H29N5O/c1-20(2,3)25-15-18(21-22-25)19(26)23(4)17-11-8-12-24(14-17)13-16-9-6-5-7-10-16/h5-7,9-10,15,17H,8,11-14H2,1-4H3
InChIKeyJKZSOIKPYKSQMA-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.77
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide

N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide (PubChem CID 139008017) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide
PubChem CID139008017
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide
SMILESCN(C(=O)c1cn(C(C)(C)C)nn1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H29N5O/c1-20(2,3)25-15-18(21-22-25)19(26)23(4)17-11-8-12-24(14-17)13-16-9-6-5-7-10-16/h5-7,9-10,15,17H,8,11-14H2,1-4H3
InChIKeyJKZSOIKPYKSQMA-UHFFFAOYSA-N
XLogP2.77
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 95894612
1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 56911407
N-(1-benzylpiperidin-3-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 75510961
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124861348
N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578
N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 136515164
tert-butyl N-(1-benzylpiperidin-3-yl)-N-tert-butylcarbamate
CID 140627422
1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea
CID 124616847
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide (CID 139008017) is N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide is CN(C(=O)c1cn(C(C)(C)C)nn1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide?
The InChIKey is JKZSOIKPYKSQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-20(2,3)25-15-18(21-22-25)19(26)23(4)17-11-8-12-24(14-17)13-16-9-6-5-7-10-16/h5-7,9-10,15,17H,8,11-14H2,1-4H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide?
N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 139008017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).