1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one

C17H31N3O2 — CID 120809891

IUPAC1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCC(C)(CN)C2)C1
InChIInChI=1S/C17H31N3O2/c1-4-13(2)15(21)19-8-5-6-14(10-19)16(22)20-9-7-17(3,11-18)12-20/h13-14H,4-12,18H2,1-3H3
InChIKeyZNUGJULVDWEHLW-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.47
Rot. Bonds4

About 1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one

1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one (PubChem CID 120809891) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
PubChem CID120809891
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCC(C)(CN)C2)C1
InChIInChI=1S/C17H31N3O2/c1-4-13(2)15(21)19-8-5-6-14(10-19)16(22)20-9-7-17(3,11-18)12-20/h13-14H,4-12,18H2,1-3H3
InChIKeyZNUGJULVDWEHLW-UHFFFAOYSA-N
XLogP1.47
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120809609
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119466888
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119435128
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2-methylbutan-1-one
CID 120806437
(3aS,7aS)-2-[1-(2-methylbutanoyl)piperidine-3-carbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628321
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 120809778
1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119622385
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-ethylpyrrolidin-2-one;hydrochloride
CID 120806642

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one (CID 120809891) is 1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCCC(C(=O)N2CCC(C)(CN)C2)C1.
What is the InChIKey of 1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The InChIKey is ZNUGJULVDWEHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-4-13(2)15(21)19-8-5-6-14(10-19)16(22)20-9-7-17(3,11-18)12-20/h13-14H,4-12,18H2,1-3H3.
What are the key properties of 1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one has a molecular weight of 309.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 120809891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).