(1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

C21H28N2O4 — CID 136528149

IUPAC(1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2CCCC(C3OCCO3)C2)CC1
InChIInChI=1S/C21H28N2O4/c24-19(16-5-2-1-3-6-16)22-11-8-17(9-12-22)20(25)23-10-4-7-18(15-23)21-26-13-14-27-21/h1-3,5-6,17-18,21H,4,7-15H2
InChIKeyBIPQCQAMSKROPW-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.15
Rot. Bonds3

About (1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

(1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone (PubChem CID 136528149) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is (1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
PubChem CID136528149
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2CCCC(C3OCCO3)C2)CC1
InChIInChI=1S/C21H28N2O4/c24-19(16-5-2-1-3-6-16)22-11-8-17(9-12-22)20(25)23-10-4-7-18(15-23)21-26-13-14-27-21/h1-3,5-6,17-18,21H,4,7-15H2
InChIKeyBIPQCQAMSKROPW-UHFFFAOYSA-N
XLogP2.15
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone 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

[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 95293500
(3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979842
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(4-chlorobenzoyl)piperidin-4-yl]methanone
CID 9296520
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
[(4aR,8aR)-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-3-yl]-phenylmethanone
CID 125473675
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
CID 40880014
[1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 51293210
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 97051192

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone (CID 136528149) is (1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(C(=O)N2CCCC(C3OCCO3)C2)CC1.
What is the InChIKey of (1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The InChIKey is BIPQCQAMSKROPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c24-19(16-5-2-1-3-6-16)22-11-8-17(9-12-22)20(25)23-10-4-7-18(15-23)21-26-13-14-27-21/h1-3,5-6,17-18,21H,4,7-15H2.
What are the key properties of (1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
(1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136528149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).