N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

C14H22N4O2 — CID 99929059

IUPACN-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cn[nH]c1
InChIInChI=1S/C14H22N4O2/c19-14(11-8-15-16-9-11)17-12-3-5-18(6-4-12)10-13-2-1-7-20-13/h8-9,12-13H,1-7,10H2,(H,15,16)(H,17,19)/t13-/m0/s1
InChIKeyKRUKHAZWPYFILJ-ZDUSSCGKSA-N
MW278.36 g/mol
LogP0.78
Rot. Bonds4

About N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 99929059) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID99929059
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cn[nH]c1
InChIInChI=1S/C14H22N4O2/c19-14(11-8-15-16-9-11)17-12-3-5-18(6-4-12)10-13-2-1-7-20-13/h8-9,12-13H,1-7,10H2,(H,15,16)(H,17,19)/t13-/m0/s1
InChIKeyKRUKHAZWPYFILJ-ZDUSSCGKSA-N
XLogP0.78
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
CID 125157089
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749
5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124855451
2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 125165824
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000544
7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 118770888
3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 70729452

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 99929059) is N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cn[nH]c1.
What is the InChIKey of N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is KRUKHAZWPYFILJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14(11-8-15-16-9-11)17-12-3-5-18(6-4-12)10-13-2-1-7-20-13/h8-9,12-13H,1-7,10H2,(H,15,16)(H,17,19)/t13-/m0/s1.
What are the key properties of N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 99929059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).