N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide

C19H31N5O — CID 46999186

IUPACN-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCC(Cn2cc(C3CC3)nn2)CC1
InChIInChI=1S/C19H31N5O/c25-19(20-17-5-3-1-2-4-6-17)23-11-9-15(10-12-23)13-24-14-18(21-22-24)16-7-8-16/h14-17H,1-13H2,(H,20,25)
InChIKeyJYCXGTHSYYUEJJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.30
Rot. Bonds4

About N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide

N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 46999186) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide
PubChem CID46999186
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCC(Cn2cc(C3CC3)nn2)CC1
InChIInChI=1S/C19H31N5O/c25-19(20-17-5-3-1-2-4-6-17)23-11-9-15(10-12-23)13-24-14-18(21-22-24)16-7-8-16/h14-17H,1-13H2,(H,20,25)
InChIKeyJYCXGTHSYYUEJJ-UHFFFAOYSA-N
XLogP3.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126941551
(2S,3S)-2-amino-1-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-3-methylpentan-1-one
CID 46994272
N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494748
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-cyclooctyl-4-(2H-tetrazol-5-yl)piperidine-1-carboxamide
CID 138047066
N-cycloheptyl-4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidine-1-carboxamide
CID 126864704
4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine
CID 46991997
[3-[(4-cyclopropyltriazol-1-yl)methyl]azepan-1-yl]-[(1S)-2,2-difluorocyclopropyl]methanone
CID 146153493
(3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 31017640
3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide
CID 62061626
3-[2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 45172320

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide (CID 46999186) is N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide is O=C(NC1CCCCCC1)N1CCC(Cn2cc(C3CC3)nn2)CC1.
What is the InChIKey of N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is JYCXGTHSYYUEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c25-19(20-17-5-3-1-2-4-6-17)23-11-9-15(10-12-23)13-24-14-18(21-22-24)16-7-8-16/h14-17H,1-13H2,(H,20,25).
What are the key properties of N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide?
N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46999186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).