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

C17H31N3O2 — CID 119466888

IUPAC1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCCCC2CN)C1
InChIInChI=1S/C17H31N3O2/c1-3-13(2)16(21)19-9-6-7-14(12-19)17(22)20-10-5-4-8-15(20)11-18/h13-15H,3-12,18H2,1-2H3
InChIKeyPHFPWBXYALNXKY-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.61
Rot. Bonds4

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

1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one (PubChem CID 119466888) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
PubChem CID119466888
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCCCC2CN)C1
InChIInChI=1S/C17H31N3O2/c1-3-13(2)16(21)19-9-6-7-14(12-19)17(22)20-10-5-4-8-15(20)11-18/h13-15H,3-12,18H2,1-2H3
InChIKeyPHFPWBXYALNXKY-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119435128
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120809891
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 134002906
[2-(aminomethyl)pyrrolidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 83619572
[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 126790046
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119469695
1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119622385
2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid
CID 119172432

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one (CID 119466888) is 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCCC(C(=O)N2CCCCC2CN)C1.
What is the InChIKey of 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The InChIKey is PHFPWBXYALNXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-13(2)16(21)19-9-6-7-14(12-19)17(22)20-10-5-4-8-15(20)11-18/h13-15H,3-12,18H2,1-2H3.
What are the key properties of 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one has a molecular weight of 309.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 119466888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).