2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C17H27N5O — CID 138033155

IUPAC2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C17H27N5O/c23-17(10-13-3-4-13)22-7-1-2-14(12-22)15-11-16(20-19-15)21-8-5-18-6-9-21/h11,13-14,18H,1-10,12H2,(H,19,20)
InChIKeyWIYZTNRHWCUJSM-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.33
Rot. Bonds4

About 2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 138033155) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID138033155
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C17H27N5O/c23-17(10-13-3-4-13)22-7-1-2-14(12-22)15-11-16(20-19-15)21-8-5-18-6-9-21/h11,13-14,18H,1-10,12H2,(H,19,20)
InChIKeyWIYZTNRHWCUJSM-UHFFFAOYSA-N
XLogP1.33
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 154741561
1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 138033141
3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 138033137
(4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 154843994
3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 138057970
2-(cyclopropylmethoxy)-1-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 96514333
5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514247
(4-pyrazol-1-ylpiperidin-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 120936316
2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 167974307
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514055
5-[1-[3-(oxolan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871692

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 138033155) is 2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is O=C(CC1CC1)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1.
What is the InChIKey of 2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is WIYZTNRHWCUJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-17(10-13-3-4-13)22-7-1-2-14(12-22)15-11-16(20-19-15)21-8-5-18-6-9-21/h11,13-14,18H,1-10,12H2,(H,19,20).
What are the key properties of 2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 317.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 138033155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).