2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone

C22H32N4O2 — CID 167753439

IUPAC2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccn[nH]1)N1CCCC(C2CCN(C(=O)C3CC4(CCC4)C3)C2)C1
InChIInChI=1S/C22H32N4O2/c27-20(11-19-4-8-23-24-19)25-9-1-3-16(14-25)17-5-10-26(15-17)21(28)18-12-22(13-18)6-2-7-22/h4,8,16-18H,1-3,5-7,9-15H2,(H,23,24)
InChIKeyKPVIOCZVUJGBJM-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.62
Rot. Bonds4

About 2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone

2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone (PubChem CID 167753439) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
PubChem CID167753439
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccn[nH]1)N1CCCC(C2CCN(C(=O)C3CC4(CCC4)C3)C2)C1
InChIInChI=1S/C22H32N4O2/c27-20(11-19-4-8-23-24-19)25-9-1-3-16(14-25)17-5-10-26(15-17)21(28)18-12-22(13-18)6-2-7-22/h4,8,16-18H,1-3,5-7,9-15H2,(H,23,24)
InChIKeyKPVIOCZVUJGBJM-UHFFFAOYSA-N
XLogP2.62
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 138379141
1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 112530943
1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 79139214
1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 167954604
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 80706631
2-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]piperidine-2-carboxylic acid
CID 104594818
1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 84579292
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
1-[2-(hydroxymethyl)azepan-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 116636251
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid
CID 102657225

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone (CID 167753439) is 2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone is O=C(Cc1ccn[nH]1)N1CCCC(C2CCN(C(=O)C3CC4(CCC4)C3)C2)C1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is KPVIOCZVUJGBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c27-20(11-19-4-8-23-24-19)25-9-1-3-16(14-25)17-5-10-26(15-17)21(28)18-12-22(13-18)6-2-7-22/h4,8,16-18H,1-3,5-7,9-15H2,(H,23,24).
What are the key properties of 2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 384.52 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167753439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).