[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone

C22H31N3O2 — CID 108978161

IUPAC[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H31N3O2/c1-2-18-8-6-7-13-25(18)21(27)22(11-12-22)20(26)24-16-14-23(15-17-24)19-9-4-3-5-10-19/h3-5,9-10,18H,2,6-8,11-17H2,1H3
InChIKeyXUNAFCNEFCEWQE-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.91
Rot. Bonds4

About [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone

[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 108978161) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID108978161
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H31N3O2/c1-2-18-8-6-7-13-25(18)21(27)22(11-12-22)20(26)24-16-14-23(15-17-24)19-9-4-3-5-10-19/h3-5,9-10,18H,2,6-8,11-17H2,1H3
InChIKeyXUNAFCNEFCEWQE-UHFFFAOYSA-N
XLogP2.91
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone
CID 108979977
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 108972390
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 108980086
1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974951
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108980069
ethyl 2-[[1-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108980112

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone (CID 108978161) is [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone is CCC1CCCCN1C(=O)C1(C(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XUNAFCNEFCEWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-2-18-8-6-7-13-25(18)21(27)22(11-12-22)20(26)24-16-14-23(15-17-24)19-9-4-3-5-10-19/h3-5,9-10,18H,2,6-8,11-17H2,1H3.
What are the key properties of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 369.51 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 108978161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).