2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide

C13H27N3O — CID 55210780

IUPAC2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CCCC(CN)C1
InChIInChI=1S/C13H27N3O/c1-4-15(5-2)13(17)11(3)16-8-6-7-12(9-14)10-16/h11-12H,4-10,14H2,1-3H3
InChIKeyKDUOHLRORJAKJP-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.91
Rot. Bonds5

About 2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide

2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide (PubChem CID 55210780) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
PubChem CID55210780
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CCCC(CN)C1
InChIInChI=1S/C13H27N3O/c1-4-15(5-2)13(17)11(3)16-8-6-7-12(9-14)10-16/h11-12H,4-10,14H2,1-3H3
InChIKeyKDUOHLRORJAKJP-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride
CID 120728523
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920382
N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119916714
2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide
CID 79867648
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N,N-diethylpropanamide
CID 102938763
2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 63847237
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626
ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
(2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 100881377
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide
CID 113319950
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730779
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide?
The IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide (CID 55210780) is 2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N1CCCC(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide?
The InChIKey is KDUOHLRORJAKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-15(5-2)13(17)11(3)16-8-6-7-12(9-14)10-16/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide?
2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 55210780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).