[1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate

C14H24N4O2 — CID 126813449

IUPAC[1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate
SMILESCCCNC(=O)OCC1CCCCN1Cc1ccn[nH]1
InChIInChI=1S/C14H24N4O2/c1-2-7-15-14(19)20-11-13-5-3-4-9-18(13)10-12-6-8-16-17-12/h6,8,13H,2-5,7,9-11H2,1H3,(H,15,19)(H,16,17)
InChIKeyWKELCDPOOOMMMK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.90
Rot. Bonds6

About [1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate

[1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate (PubChem CID 126813449) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate.

Molecular Properties

Compound Name[1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate
PubChem CID126813449
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name[1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate
SMILESCCCNC(=O)OCC1CCCCN1Cc1ccn[nH]1
InChIInChI=1S/C14H24N4O2/c1-2-7-15-14(19)20-11-13-5-3-4-9-18(13)10-12-6-8-16-17-12/h6,8,13H,2-5,7,9-11H2,1H3,(H,15,19)(H,16,17)
InChIKeyWKELCDPOOOMMMK-UHFFFAOYSA-N
XLogP1.90
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide
CID 154799506
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 95281410
[1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate
CID 154758472
2-[2-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]ethyl]pyridine
CID 29214676
1-[2-(hydroxymethyl)azepan-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 116636251
[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate
CID 6733723
2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 115656617
[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl acetate
CID 139716822
tert-butyl (2R)-2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 94809182
tert-butyl 2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51095422
ethyl 1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-2-carboxylate
CID 79139119
3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911130

Frequently Asked Questions

What is the IUPAC name of [1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate?
The IUPAC name of [1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate (CID 126813449) is [1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate.
What is the SMILES notation for [1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate?
The canonical SMILES for [1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate is CCCNC(=O)OCC1CCCCN1Cc1ccn[nH]1.
What is the InChIKey of [1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate?
The InChIKey is WKELCDPOOOMMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-7-15-14(19)20-11-13-5-3-4-9-18(13)10-12-6-8-16-17-12/h6,8,13H,2-5,7,9-11H2,1H3,(H,15,19)(H,16,17).
What are the key properties of [1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate?
[1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate has a molecular weight of 280.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate is sourced from PubChem (CID 126813449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).