N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide

C12H23N3O3 — CID 60638694

IUPACN-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCCC(CO)C1
InChIInChI=1S/C12H23N3O3/c1-3-13-12(18)14-11(17)9(2)15-6-4-5-10(7-15)8-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18)
InChIKeyPIORALPIIMAQCX-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.08
Rot. Bonds4

About N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide

N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 60638694) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID60638694
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCCC(CO)C1
InChIInChI=1S/C12H23N3O3/c1-3-13-12(18)14-11(17)9(2)15-6-4-5-10(7-15)8-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18)
InChIKeyPIORALPIIMAQCX-UHFFFAOYSA-N
XLogP-0.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63763714
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63848300
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)propanamide
CID 11931790
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439
(3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 52508761
N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46614180
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-piperazin-1-ylpropanamide
CID 43089574
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide (CID 60638694) is N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide is CCNC(=O)NC(=O)C(C)N1CCCC(CO)C1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is PIORALPIIMAQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-13-12(18)14-11(17)9(2)15-6-4-5-10(7-15)8-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18).
What are the key properties of N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 257.33 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 60638694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).