(2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide

C14H25N3O4 — CID 95269319

IUPAC(2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)N1CCC(C2OCCO2)CC1
InChIInChI=1S/C14H25N3O4/c1-3-15-14(19)16-12(18)10(2)17-6-4-11(5-7-17)13-20-8-9-21-13/h10-11,13H,3-9H2,1-2H3,(H2,15,16,18,19)/t10-/m1/s1
InChIKeyYAYAMGPHDOBYGZ-SNVBAGLBSA-N
MW299.37 g/mol
LogP0.31
Rot. Bonds4

About (2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide

(2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide (PubChem CID 95269319) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
PubChem CID95269319
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)N1CCC(C2OCCO2)CC1
InChIInChI=1S/C14H25N3O4/c1-3-15-14(19)16-12(18)10(2)17-6-4-11(5-7-17)13-20-8-9-21-13/h10-11,13H,3-9H2,1-2H3,(H2,15,16,18,19)/t10-/m1/s1
InChIKeyYAYAMGPHDOBYGZ-SNVBAGLBSA-N
XLogP0.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46614180
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)propanamide
CID 11931790
methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60638894
(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide
CID 94418975
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700
N-(ethylcarbamoyl)-2-piperazin-1-ylpropanamide
CID 43089574
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 51094827
(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 94812868
2-[2-(aminomethyl)morpholin-4-yl]-N-(ethylcarbamoyl)propanamide
CID 61338002
N-(ethylcarbamoyl)-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282323
2-(4-amino-3-ethylpiperidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 81460901
N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60638694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide (CID 95269319) is (2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)[C@@H](C)N1CCC(C2OCCO2)CC1.
What is the InChIKey of (2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
The InChIKey is YAYAMGPHDOBYGZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-15-14(19)16-12(18)10(2)17-6-4-11(5-7-17)13-20-8-9-21-13/h10-11,13H,3-9H2,1-2H3,(H2,15,16,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
(2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 95269319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).