4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide

C20H30N2O3 — CID 75390233

IUPAC4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(C2(C)OCCO2)CC1)C(C)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-15(17-7-5-4-6-8-17)16(2)21-19(23)22-11-9-18(10-12-22)20(3)24-13-14-25-20/h4-8,15-16,18H,9-14H2,1-3H3,(H,21,23)
InChIKeyKEMDZTVZJPHBFS-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.36
Rot. Bonds4

About 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide

4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide (PubChem CID 75390233) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide
PubChem CID75390233
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(C2(C)OCCO2)CC1)C(C)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-15(17-7-5-4-6-8-17)16(2)21-19(23)22-11-9-18(10-12-22)20(3)24-13-14-25-20/h4-8,15-16,18H,9-14H2,1-3H3,(H,21,23)
InChIKeyKEMDZTVZJPHBFS-UHFFFAOYSA-N
XLogP3.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide 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

4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
CID 75390214
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
(6R)-6-methyl-1,1-dioxo-N-[(2R,3R)-3-phenylbutan-2-yl]-1,4-thiazepane-4-carboxamide
CID 124830042
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide
CID 99854051
(3S,4S)-1-(3-phenylbutan-2-ylcarbamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122004867
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide
CID 75454694
N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86914120
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide (CID 75390233) is 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide is CC(NC(=O)N1CCC(C2(C)OCCO2)CC1)C(C)c1ccccc1.
What is the InChIKey of 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide?
The InChIKey is KEMDZTVZJPHBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(17-7-5-4-6-8-17)16(2)21-19(23)22-11-9-18(10-12-22)20(3)24-13-14-25-20/h4-8,15-16,18H,9-14H2,1-3H3,(H,21,23).
What are the key properties of 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide?
4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylbutan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75390233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).