N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride

C12H24ClN3O2 — CID 119761692

IUPACN-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride
SMILESCCCC(=O)NC1CCCN(C(=O)CNC)C1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-3-5-11(16)14-10-6-4-7-15(9-10)12(17)8-13-2;/h10,13H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyIROCKZYIDOLURQ-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.53
Rot. Bonds5

About N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride

N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride (PubChem CID 119761692) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride
PubChem CID119761692
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride
SMILESCCCC(=O)NC1CCCN(C(=O)CNC)C1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-3-5-11(16)14-10-6-4-7-15(9-10)12(17)8-13-2;/h10,13H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyIROCKZYIDOLURQ-UHFFFAOYSA-N
XLogP0.53
TPSA61.44 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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119761704
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide
CID 54871655
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
CID 119761681
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119310793
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047
1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496090
1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496088
1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119492016
N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
CID 119761710
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride?
The IUPAC name of N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride (CID 119761692) is N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride?
The canonical SMILES for N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride is CCCC(=O)NC1CCCN(C(=O)CNC)C1.Cl.
What is the InChIKey of N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride?
The InChIKey is IROCKZYIDOLURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-3-5-11(16)14-10-6-4-7-15(9-10)12(17)8-13-2;/h10,13H,3-9H2,1-2H3,(H,14,16);1H.
What are the key properties of N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride?
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 119761692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).