3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one

C15H29N3O — CID 120503246

IUPAC3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
SMILESCC(N)C(C)C(=O)N1CCCC1CN1CCCCC1
InChIInChI=1S/C15H29N3O/c1-12(13(2)16)15(19)18-10-6-7-14(18)11-17-8-4-3-5-9-17/h12-14H,3-11,16H2,1-2H3
InChIKeyKHJBDYIBYOXBRZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds4

About 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one

3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 120503246) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
PubChem CID120503246
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
SMILESCC(N)C(C)C(=O)N1CCCC1CN1CCCCC1
InChIInChI=1S/C15H29N3O/c1-12(13(2)16)15(19)18-10-6-7-14(18)11-17-8-4-3-5-9-17/h12-14H,3-11,16H2,1-2H3
InChIKeyKHJBDYIBYOXBRZ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120503245
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503674
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283
3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 83620444
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119860004
1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
CID 119466546
(2R)-2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-3-methylbutan-1-one
CID 104891495
3-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502799
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one (CID 120503246) is 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one is CC(N)C(C)C(=O)N1CCCC1CN1CCCCC1.
What is the InChIKey of 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is KHJBDYIBYOXBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(13(2)16)15(19)18-10-6-7-14(18)11-17-8-4-3-5-9-17/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one?
3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 120503246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).