N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide

C20H33N7O2 — CID 45238233

IUPACN-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide
SMILESO=C1CN(Cc2cn(CC3CCCN(C(=O)NC4CCCCC4)C3)nn2)CCN1
InChIInChI=1S/C20H33N7O2/c28-19-15-25(10-8-21-19)13-18-14-27(24-23-18)12-16-5-4-9-26(11-16)20(29)22-17-6-2-1-3-7-17/h14,16-17H,1-13,15H2,(H,21,28)(H,22,29)
InChIKeyDOGVKAZYCAKXMK-UHFFFAOYSA-N
MW403.53 g/mol
LogP0.96
Rot. Bonds5

About N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide

N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 45238233) has the molecular formula C20H33N7O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide
PubChem CID45238233
Molecular FormulaC20H33N7O2
Molecular Weight403.53 g/mol
Exact Mass403.27
IUPAC NameN-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide
SMILESO=C1CN(Cc2cn(CC3CCCN(C(=O)NC4CCCCC4)C3)nn2)CCN1
InChIInChI=1S/C20H33N7O2/c28-19-15-25(10-8-21-19)13-18-14-27(24-23-18)12-16-5-4-9-26(11-16)20(29)22-17-6-2-1-3-7-17/h14,16-17H,1-13,15H2,(H,21,28)(H,22,29)
InChIKeyDOGVKAZYCAKXMK-UHFFFAOYSA-N
XLogP0.96
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
CID 45246542
(3S)-N-ethyl-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
CID 31224969
N-cycloheptyl-3-oxopiperazine-1-carboxamide
CID 119103460
3-[[4-[(3,3-difluoropiperidin-1-yl)methyl]triazol-1-yl]methyl]-N-ethylpiperidine-1-carboxamide
CID 45189124
4-[[1-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 154891231
N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide
CID 46999186
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
[(3S)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 31053519
[(3S)-3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-cycloheptylmethanone
CID 95047345
1-[[1-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methyl]-1,4-diazepane
CID 45191798
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide (CID 45238233) is N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide is O=C1CN(Cc2cn(CC3CCCN(C(=O)NC4CCCCC4)C3)nn2)CCN1.
What is the InChIKey of N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is DOGVKAZYCAKXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7O2/c28-19-15-25(10-8-21-19)13-18-14-27(24-23-18)12-16-5-4-9-26(11-16)20(29)22-17-6-2-1-3-7-17/h14,16-17H,1-13,15H2,(H,21,28)(H,22,29).
What are the key properties of N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide?
N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 45238233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).