[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone

C18H26N2O3 — CID 166285189

IUPAC[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone
SMILESCN(c1ccccc1)C1CCN(C(=O)[C@@H]2COC(C)(C)O2)CC1
InChIInChI=1S/C18H26N2O3/c1-18(2)22-13-16(23-18)17(21)20-11-9-15(10-12-20)19(3)14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t16-/m0/s1
InChIKeyJYMOHOQLPGSENM-INIZCTEOSA-N
MW318.42 g/mol
LogP2.27
Rot. Bonds3

About [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone

[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone (PubChem CID 166285189) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone
PubChem CID166285189
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone
SMILESCN(c1ccccc1)C1CCN(C(=O)[C@@H]2COC(C)(C)O2)CC1
InChIInChI=1S/C18H26N2O3/c1-18(2)22-13-16(23-18)17(21)20-11-9-15(10-12-20)19(3)14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t16-/m0/s1
InChIKeyJYMOHOQLPGSENM-INIZCTEOSA-N
XLogP2.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131133
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 136579513
1-[4-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methoxy-N-methylanilino]piperidin-1-yl]ethanone
CID 59727908
2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119900172
tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate
CID 58959909
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylsulfanylethanone
CID 14464202
2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131158
(2S)-2-amino-3,3-dimethyl-1-[4-(N-methylanilino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119900202
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one
CID 56796258
(NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 156723037
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900206
[4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone
CID 146127136

Frequently Asked Questions

What is the IUPAC name of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone?
The IUPAC name of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone (CID 166285189) is [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone?
The canonical SMILES for [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone is CN(c1ccccc1)C1CCN(C(=O)[C@@H]2COC(C)(C)O2)CC1.
What is the InChIKey of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone?
The InChIKey is JYMOHOQLPGSENM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2)22-13-16(23-18)17(21)20-11-9-15(10-12-20)19(3)14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t16-/m0/s1.
What are the key properties of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone?
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[4-(N-methylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 166285189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).