N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide

C21H27N5O2 — CID 72930262

IUPACN-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccnn1CC1CC=CCC1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C21H27N5O2/c27-20(24-19-8-12-23-26(19)16-17-5-2-1-3-6-17)25-13-9-21(28,10-14-25)18-7-4-11-22-15-18/h1-2,4,7-8,11-12,15,17,28H,3,5-6,9-10,13-14,16H2,(H,24,27)
InChIKeyXZSVCIFTBIELGR-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide

N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 72930262) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID72930262
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccnn1CC1CC=CCC1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C21H27N5O2/c27-20(24-19-8-12-23-26(19)16-17-5-2-1-3-6-17)25-13-9-21(28,10-14-25)18-7-4-11-22-15-18/h1-2,4,7-8,11-12,15,17,28H,3,5-6,9-10,13-14,16H2,(H,24,27)
InChIKeyXZSVCIFTBIELGR-UHFFFAOYSA-N
XLogP3.15
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 74245810
1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea
CID 97436202
1-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 97438298
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 72877334
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 126441295
3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 125156602
1-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
CID 118776982
N-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]acetamide
CID 31125709
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide
CID 121497817

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide (CID 72930262) is N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide is O=C(Nc1ccnn1CC1CC=CCC1)N1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is XZSVCIFTBIELGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-20(24-19-8-12-23-26(19)16-17-5-2-1-3-6-17)25-13-9-21(28,10-14-25)18-7-4-11-22-15-18/h1-2,4,7-8,11-12,15,17,28H,3,5-6,9-10,13-14,16H2,(H,24,27).
What are the key properties of N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 72930262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).