(3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide

C13H24N2O3 — CID 99604716

IUPAC(3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(CCC2OCCO2)C1
InChIInChI=1S/C13H24N2O3/c1-2-14-13(16)11-4-3-6-15(10-11)7-5-12-17-8-9-18-12/h11-12H,2-10H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyWVWVSTCSTLYGIR-NSHDSACASA-N
MW256.35 g/mol
LogP0.60
Rot. Bonds5

About (3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide

(3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide (PubChem CID 99604716) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide
PubChem CID99604716
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(CCC2OCCO2)C1
InChIInChI=1S/C13H24N2O3/c1-2-14-13(16)11-4-3-6-15(10-11)7-5-12-17-8-9-18-12/h11-12H,2-10H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyWVWVSTCSTLYGIR-NSHDSACASA-N
XLogP0.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129433486
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
1-butyl-N-propylpiperidine-3-carboxamide
CID 60606926
N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide
CID 75472604
N-(2-aminoethyl)-1-[3-(oxolan-2-yl)propyl]piperidine-3-carboxamide
CID 65162001
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
1-ethyl-N-hydroxypiperidine-3-carboxamide
CID 57080127
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
1-ethylpiperidine-3-carbohydrazide
CID 68651092

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide (CID 99604716) is (3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide is CCNC(=O)[C@H]1CCCN(CCC2OCCO2)C1.
What is the InChIKey of (3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide?
The InChIKey is WVWVSTCSTLYGIR-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-14-13(16)11-4-3-6-15(10-11)7-5-12-17-8-9-18-12/h11-12H,2-10H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide?
(3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 99604716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).