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

C15H28N4O2 — CID 63848300

IUPAC2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C15H28N4O2/c1-3-16-15(21)18-14(20)11(2)19-8-4-5-12(10-19)9-17-13-6-7-13/h11-13,17H,3-10H2,1-2H3,(H2,16,18,20,21)
InChIKeyNRBJZRGMBPQMMM-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.68
Rot. Bonds6

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

2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide (PubChem CID 63848300) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
PubChem CID63848300
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C15H28N4O2/c1-3-16-15(21)18-14(20)11(2)19-8-4-5-12(10-19)9-17-13-6-7-13/h11-13,17H,3-10H2,1-2H3,(H2,16,18,20,21)
InChIKeyNRBJZRGMBPQMMM-UHFFFAOYSA-N
XLogP0.68
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60638694
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63763714
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847259
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700
(3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 52508761
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)propanamide
CID 11931790
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842
N-cyclopentyl-2-[3-(ethylaminomethyl)piperidin-1-yl]propanamide
CID 63849664
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439
N-[(1-butan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 63849007

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide (CID 63848300) is 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)N1CCCC(CNC2CC2)C1.
What is the InChIKey of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
The InChIKey is NRBJZRGMBPQMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-16-15(21)18-14(20)11(2)19-8-4-5-12(10-19)9-17-13-6-7-13/h11-13,17H,3-10H2,1-2H3,(H2,16,18,20,21).
What are the key properties of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide has a molecular weight of 296.41 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 63848300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).