1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one

C22H30N2O2 — CID 166411061

IUPAC1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)N2CCC(c3ccccc3)C(CC)C2)CC1
InChIInChI=1S/C22H30N2O2/c1-3-17-16-24(15-12-20(17)18-8-6-5-7-9-18)22(26)19-10-13-23(14-11-19)21(25)4-2/h4-9,17,19-20H,2-3,10-16H2,1H3
InChIKeyRQBSODLNYUXIPX-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.45
Rot. Bonds4

About 1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one

1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one (PubChem CID 166411061) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
PubChem CID166411061
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)N2CCC(c3ccccc3)C(CC)C2)CC1
InChIInChI=1S/C22H30N2O2/c1-3-17-16-24(15-12-20(17)18-8-6-5-7-9-18)22(26)19-10-13-23(14-11-19)21(25)4-2/h4-9,17,19-20H,2-3,10-16H2,1H3
InChIKeyRQBSODLNYUXIPX-UHFFFAOYSA-N
XLogP3.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 71866626
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
CID 120502202
(3-ethyl-4-phenylpiperidin-1-yl)-morpholin-2-ylmethanone
CID 119817683
(3-ethyl-4-phenylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120936914
2-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]acetic acid
CID 129434571
phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 166411037
(2S)-2-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]propanoic acid
CID 124683616
cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone
CID 13039297
(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119817662
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone
CID 120748068
1-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]-2-propylsulfonylethanone
CID 95935278

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one (CID 166411061) is 1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(C(=O)N2CCC(c3ccccc3)C(CC)C2)CC1.
What is the InChIKey of 1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is RQBSODLNYUXIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-3-17-16-24(15-12-20(17)18-8-6-5-7-9-18)22(26)19-10-13-23(14-11-19)21(25)4-2/h4-9,17,19-20H,2-3,10-16H2,1H3.
What are the key properties of 1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one?
1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 354.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 166411061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).