1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide

C14H27N3O2 — CID 81087190

IUPAC1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)CC(CC)CN)CC1
InChIInChI=1S/C14H27N3O2/c1-3-11(10-15)9-13(18)17-7-5-12(6-8-17)14(19)16-4-2/h11-12H,3-10,15H2,1-2H3,(H,16,19)
InChIKeyVCJONMMVIZYHNG-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.74
Rot. Bonds6

About 1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide

1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 81087190) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide
PubChem CID81087190
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)CC(CC)CN)CC1
InChIInChI=1S/C14H27N3O2/c1-3-11(10-15)9-13(18)17-7-5-12(6-8-17)14(19)16-4-2/h11-12H,3-10,15H2,1-2H3,(H,16,19)
InChIKeyVCJONMMVIZYHNG-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 81071625
3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 81071725
1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide
CID 103195301
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302523
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-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 81075469
3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409154
1-[4-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119518372
1-(2-bromo-3-methylbutanoyl)-N-ethylpiperidine-4-carboxamide
CID 54875467

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide (CID 81087190) is 1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)CC(CC)CN)CC1.
What is the InChIKey of 1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is VCJONMMVIZYHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-11(10-15)9-13(18)17-7-5-12(6-8-17)14(19)16-4-2/h11-12H,3-10,15H2,1-2H3,(H,16,19).
What are the key properties of 1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide?
1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.74, 6 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-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 81087190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).