4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one

C14H27N3O — CID 66430499

IUPAC4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one
SMILESCC1CCCN1C(CN)CC(=O)N1CCCCC1
InChIInChI=1S/C14H27N3O/c1-12-6-5-9-17(12)13(11-15)10-14(18)16-7-3-2-4-8-16/h12-13H,2-11,15H2,1H3
InChIKeyRRJQSHNMEFTZHJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.20
Rot. Bonds4

About 4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one

4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one (PubChem CID 66430499) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one
PubChem CID66430499
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one
SMILESCC1CCCN1C(CN)CC(=O)N1CCCCC1
InChIInChI=1S/C14H27N3O/c1-12-6-5-9-17(12)13(11-15)10-14(18)16-7-3-2-4-8-16/h12-13H,2-11,15H2,1H3
InChIKeyRRJQSHNMEFTZHJ-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430485
4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
CID 66430100
4-amino-3-(2-methylpyrrolidin-1-yl)butanamide
CID 66428386
4-amino-3-(2-methylpiperidin-1-yl)butanamide
CID 66426676
4-amino-3-(2,5-dimethylmorpholin-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66432542
4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 104958068
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-1-pyrrolidin-1-ylbutan-1-one
CID 115559409
4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 102965004
3-amino-2-(2-methylazepan-1-yl)propanoic acid
CID 64693147
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66431730
3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 103225177
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one (CID 66430499) is 4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one is CC1CCCN1C(CN)CC(=O)N1CCCCC1.
What is the InChIKey of 4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one?
The InChIKey is RRJQSHNMEFTZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-6-5-9-17(12)13(11-15)10-14(18)16-7-3-2-4-8-16/h12-13H,2-11,15H2,1H3.
What are the key properties of 4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one?
4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 66430499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).