1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone

C15H24N4O — CID 119877965

IUPAC1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone
SMILESCn1cc(C2CCCN2C(=O)CC2CCNCC2)cn1
InChIInChI=1S/C15H24N4O/c1-18-11-13(10-17-18)14-3-2-8-19(14)15(20)9-12-4-6-16-7-5-12/h10-12,14,16H,2-9H2,1H3
InChIKeyXTTMEYSGQYHKMA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.47
Rot. Bonds3

About 1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone

1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 119877965) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone
PubChem CID119877965
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone
SMILESCn1cc(C2CCCN2C(=O)CC2CCNCC2)cn1
InChIInChI=1S/C15H24N4O/c1-18-11-13(10-17-18)14-3-2-8-19(14)15(20)9-12-4-6-16-7-5-12/h10-12,14,16H,2-9H2,1H3
InChIKeyXTTMEYSGQYHKMA-UHFFFAOYSA-N
XLogP1.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119877995
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95348858
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95569339
5,5-diethyl-3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95569598
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351
2-(4-methoxyphenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569574
2-(4-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825079
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 119877957
2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825085
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95308603

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone (CID 119877965) is 1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone is Cn1cc(C2CCCN2C(=O)CC2CCNCC2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone?
The InChIKey is XTTMEYSGQYHKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-11-13(10-17-18)14-3-2-8-19(14)15(20)9-12-4-6-16-7-5-12/h10-12,14,16H,2-9H2,1H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone?
1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 119877965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).