1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride

C12H24ClN3O2 — CID 120562628

IUPAC1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCN(C(=O)CCC(C)N)C1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(13)5-6-11(16)15-7-3-4-10(8-15)12(17)14-2;/h9-10H,3-8,13H2,1-2H3,(H,14,17);1H
InChIKeyASGCQAVOOGTKTL-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.52
Rot. Bonds4

About 1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride

1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 120562628) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID120562628
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCN(C(=O)CCC(C)N)C1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(13)5-6-11(16)15-7-3-4-10(8-15)12(17)14-2;/h9-10H,3-8,13H2,1-2H3,(H,14,17);1H
InChIKeyASGCQAVOOGTKTL-UHFFFAOYSA-N
XLogP0.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113234306
1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide
CID 103796762
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide
CID 103796757
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride
CID 120565731
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745
1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide
CID 103195301
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride (CID 120562628) is 1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride is CNC(=O)C1CCCN(C(=O)CCC(C)N)C1.Cl.
What is the InChIKey of 1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is ASGCQAVOOGTKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-9(13)5-6-11(16)15-7-3-4-10(8-15)12(17)14-2;/h9-10H,3-8,13H2,1-2H3,(H,14,17);1H.
What are the key properties of 1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120562628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).