N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride

C12H24ClN3O2 — CID 119468639

IUPACN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-2-5-11(16)14-9-12(17)15-7-4-3-6-10(15)8-13;/h10H,2-9,13H2,1H3,(H,14,16);1H
InChIKeyWZPXHBWCLCIVGW-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.66
Rot. Bonds5

About N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride

N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride (PubChem CID 119468639) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride
PubChem CID119468639
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-2-5-11(16)14-9-12(17)15-7-4-3-6-10(15)8-13;/h10H,2-9,13H2,1H3,(H,14,16);1H
InChIKeyWZPXHBWCLCIVGW-UHFFFAOYSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119468022
N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 119651064
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119632681
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119466693
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 119466435

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride?
The IUPAC name of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride (CID 119468639) is N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride?
The canonical SMILES for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride is CCCC(=O)NCC(=O)N1CCCCC1CN.Cl.
What is the InChIKey of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride?
The InChIKey is WZPXHBWCLCIVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-2-5-11(16)14-9-12(17)15-7-4-3-6-10(15)8-13;/h10H,2-9,13H2,1H3,(H,14,16);1H.
What are the key properties of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride?
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride is sourced from PubChem (CID 119468639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).