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

C19H24N2O3 — CID 75390214

IUPAC4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
SMILESCC1(C2CCN(C(=O)NCC#Cc3ccccc3)CC2)OCCO1
InChIInChI=1S/C19H24N2O3/c1-19(23-14-15-24-19)17-9-12-21(13-10-17)18(22)20-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,17H,9-15H2,1H3,(H,20,22)
InChIKeyFVRCPIRPNDRNNE-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.22
Rot. Bonds2

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

4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide (PubChem CID 75390214) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
PubChem CID75390214
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
SMILESCC1(C2CCN(C(=O)NCC#Cc3ccccc3)CC2)OCCO1
InChIInChI=1S/C19H24N2O3/c1-19(23-14-15-24-19)17-9-12-21(13-10-17)18(22)20-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,17H,9-15H2,1H3,(H,20,22)
InChIKeyFVRCPIRPNDRNNE-UHFFFAOYSA-N
XLogP2.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxolan-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 53537952
4-(1,3-dioxolan-2-yl)-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53538031
4-(1,3-dioxolan-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 53538186
N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 84592892
N-[2-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 12394730
N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 30886421
N-[2-(2-fluorophenyl)-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 53549134
N-[2-(4-fluorophenyl)-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 53585409
N-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 60471359
N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 75390213
N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 75390228
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 75520504

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide (CID 75390214) is 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide is CC1(C2CCN(C(=O)NCC#Cc3ccccc3)CC2)OCCO1.
What is the InChIKey of 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide?
The InChIKey is FVRCPIRPNDRNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(23-14-15-24-19)17-9-12-21(13-10-17)18(22)20-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,17H,9-15H2,1H3,(H,20,22).
What are the key properties of 4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide?
4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.22, 2 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-phenylprop-2-ynyl)piperidine-1-carboxamide is sourced from PubChem (CID 75390214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).