3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride

C11H23ClN4O2 — CID 119925915

IUPAC3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride
SMILESCC1CCCN(CCC(=O)NC(N)=O)C1CN.Cl
InChIInChI=1S/C11H22N4O2.ClH/c1-8-3-2-5-15(9(8)7-12)6-4-10(16)14-11(13)17;/h8-9H,2-7,12H2,1H3,(H3,13,14,16,17);1H
InChIKeyOLRXGQLHFVFULR-UHFFFAOYSA-N
MW278.78 g/mol
LogP0.05
Rot. Bonds4

About 3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride

3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride (PubChem CID 119925915) has the molecular formula C11H23ClN4O2 and a molecular weight of 278.78 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride
PubChem CID119925915
Molecular FormulaC11H23ClN4O2
Molecular Weight278.78 g/mol
Exact Mass278.15
IUPAC Name3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride
SMILESCC1CCCN(CCC(=O)NC(N)=O)C1CN.Cl
InChIInChI=1S/C11H22N4O2.ClH/c1-8-3-2-5-15(9(8)7-12)6-4-10(16)14-11(13)17;/h8-9H,2-7,12H2,1H3,(H3,13,14,16,17);1H
InChIKeyOLRXGQLHFVFULR-UHFFFAOYSA-N
XLogP0.05
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119926190
N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78942125
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119925999
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119925997
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone;hydrochloride
CID 119926112
(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine
CID 107008015
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119925971
N-carbamoyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanamide
CID 61176660
4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide
CID 82736832
[(2R,3S)-1,3-dimethylpiperidin-2-yl]methanamine
CID 124835848
2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 119926221
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 102784643

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride?
The IUPAC name of 3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride (CID 119925915) is 3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride.
What is the SMILES notation for 3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride?
The canonical SMILES for 3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride is CC1CCCN(CCC(=O)NC(N)=O)C1CN.Cl.
What is the InChIKey of 3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride?
The InChIKey is OLRXGQLHFVFULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2.ClH/c1-8-3-2-5-15(9(8)7-12)6-4-10(16)14-11(13)17;/h8-9H,2-7,12H2,1H3,(H3,13,14,16,17);1H.
What are the key properties of 3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride?
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride is sourced from PubChem (CID 119925915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).