4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide

C20H27N5O3 — CID 126795589

IUPAC4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccn2)c1)N1CCC(OCC2CCCO2)CC1
InChIInChI=1S/C20H27N5O3/c26-20(23-17-12-22-25(14-17)13-16-4-1-2-8-21-16)24-9-6-18(7-10-24)28-15-19-5-3-11-27-19/h1-2,4,8,12,14,18-19H,3,5-7,9-11,13,15H2,(H,23,26)
InChIKeyQZYVLPPWTYSNSC-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.52
Rot. Bonds6

About 4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide

4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 126795589) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID126795589
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccn2)c1)N1CCC(OCC2CCCO2)CC1
InChIInChI=1S/C20H27N5O3/c26-20(23-17-12-22-25(14-17)13-16-4-1-2-8-21-16)24-9-6-18(7-10-24)28-15-19-5-3-11-27-19/h1-2,4,8,12,14,18-19H,3,5-7,9-11,13,15H2,(H,23,26)
InChIKeyQZYVLPPWTYSNSC-UHFFFAOYSA-N
XLogP2.52
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359
N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 86813351
4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 167833760
N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363
4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 119047349
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide
CID 95899494
N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99708470
4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 154752369
(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 96567739
N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99715154
4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 121145358
3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136529661

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide (CID 126795589) is 4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide is O=C(Nc1cnn(Cc2ccccn2)c1)N1CCC(OCC2CCCO2)CC1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is QZYVLPPWTYSNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-20(23-17-12-22-25(14-17)13-16-4-1-2-8-21-16)24-9-6-18(7-10-24)28-15-19-5-3-11-27-19/h1-2,4,8,12,14,18-19H,3,5-7,9-11,13,15H2,(H,23,26).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide?
4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 126795589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).