[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone

C20H27N3O2 — CID 109132218

IUPAC[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(C1CC1C(=O)N1CCN(c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C20H27N3O2/c24-19(22-9-5-2-6-10-22)17-15-18(17)20(25)23-13-11-21(12-14-23)16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2
InChIKeyFCJGGSUENMPCGQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.98
Rot. Bonds3

About [2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone

[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone (PubChem CID 109132218) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is [2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
PubChem CID109132218
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(C1CC1C(=O)N1CCN(c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C20H27N3O2/c24-19(22-9-5-2-6-10-22)17-15-18(17)20(25)23-13-11-21(12-14-23)16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2
InChIKeyFCJGGSUENMPCGQ-UHFFFAOYSA-N
XLogP1.98
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572
2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60952583
(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
CID 64818303
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138426

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone (CID 109132218) is [2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone is O=C(C1CC1C(=O)N1CCN(c2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of [2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is FCJGGSUENMPCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(22-9-5-2-6-10-22)17-15-18(17)20(25)23-13-11-21(12-14-23)16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2.
What are the key properties of [2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 341.45 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109132218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).