[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone

C25H34N4O2 — CID 169094884

IUPAC[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1)N1CCCCC1
InChIInChI=1S/C25H34N4O2/c30-25(28-13-3-1-4-14-28)21-11-15-27(16-12-21)23-9-7-20(8-10-23)22-18-26-29(19-22)24-6-2-5-17-31-24/h7-10,18-19,21,24H,1-6,11-17H2
InChIKeyDPVUUTOYYSPPEX-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.48
Rot. Bonds4

About [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 169094884) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID169094884
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1)N1CCCCC1
InChIInChI=1S/C25H34N4O2/c30-25(28-13-3-1-4-14-28)21-11-15-27(16-12-21)23-9-7-20(8-10-23)22-18-26-29(19-22)24-6-2-5-17-31-24/h7-10,18-19,21,24H,1-6,11-17H2
InChIKeyDPVUUTOYYSPPEX-UHFFFAOYSA-N
XLogP4.48
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
CID 169094730
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate
CID 175453155
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine
CID 169094860
N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
CID 169094772
2-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 169094842
N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide
CID 169094668
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
CID 167978748
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 142796783

Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 169094884) is [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1)N1CCCCC1.
What is the InChIKey of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is DPVUUTOYYSPPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c30-25(28-13-3-1-4-14-28)21-11-15-27(16-12-21)23-9-7-20(8-10-23)22-18-26-29(19-22)24-6-2-5-17-31-24/h7-10,18-19,21,24H,1-6,11-17H2.
What are the key properties of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 422.57 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 169094884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).