1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide

C13H25N3O2 — CID 103195301

IUPAC1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide
SMILESCCC(CN)CC(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C13H25N3O2/c1-3-10(8-14)7-12(17)16-6-4-5-11(9-16)13(18)15-2/h10-11H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyQEZDQNYBHPAOJM-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.35
Rot. Bonds5

About 1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide

1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103195301) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide
PubChem CID103195301
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide
SMILESCCC(CN)CC(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C13H25N3O2/c1-3-10(8-14)7-12(17)16-6-4-5-11(9-16)13(18)15-2/h10-11H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyQEZDQNYBHPAOJM-UHFFFAOYSA-N
XLogP0.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735
3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 81087100
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide
CID 103796762
1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 120562628
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113234306
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide
CID 103796757
N-methyl-1-(3-piperidin-4-ylbutanoyl)piperidine-3-carboxamide
CID 119783440
1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide
CID 81087190
N-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-3-carboxamide
CID 103944365
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide (CID 103195301) is 1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide is CCC(CN)CC(=O)N1CCCC(C(=O)NC)C1.
What is the InChIKey of 1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is QEZDQNYBHPAOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-10(8-14)7-12(17)16-6-4-5-11(9-16)13(18)15-2/h10-11H,3-9,14H2,1-2H3,(H,15,18).
What are the key properties of 1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide?
1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103195301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).