[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone

C15H29N3O — CID 126790046

IUPAC[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone
SMILESCC(C)CN1CCC(C(=O)N2CCCCC2CN)C1
InChIInChI=1S/C15H29N3O/c1-12(2)10-17-8-6-13(11-17)15(19)18-7-4-3-5-14(18)9-16/h12-14H,3-11,16H2,1-2H3
InChIKeyHNITUVLJZPVICJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.30
Rot. Bonds4

About [2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone

[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone (PubChem CID 126790046) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone
PubChem CID126790046
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone
SMILESCC(C)CN1CCC(C(=O)N2CCCCC2CN)C1
InChIInChI=1S/C15H29N3O/c1-12(2)10-17-8-6-13(11-17)15(19)18-7-4-3-5-14(18)9-16/h12-14H,3-11,16H2,1-2H3
InChIKeyHNITUVLJZPVICJ-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 83619572
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
(2-cyclopentylpyrrolidin-1-yl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 136578094
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
[(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184751
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119466888
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
CID 119466546
1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119466300
(2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile
CID 97082468
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 129428882
(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 119797212

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone (CID 126790046) is [2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone is CC(C)CN1CCC(C(=O)N2CCCCC2CN)C1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone?
The InChIKey is HNITUVLJZPVICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)10-17-8-6-13(11-17)15(19)18-7-4-3-5-14(18)9-16/h12-14H,3-11,16H2,1-2H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone has a molecular weight of 267.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 126790046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).