1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one

C13H24N2O — CID 83989168

IUPAC1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(N)CC(CC2CC2)C1
InChIInChI=1S/C13H24N2O/c1-2-3-13(16)15-8-11(6-10-4-5-10)7-12(14)9-15/h10-12H,2-9,14H2,1H3
InChIKeyOCLILSTVYKWPDC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.76
Rot. Bonds4

About 1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one

1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one (PubChem CID 83989168) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one
PubChem CID83989168
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(N)CC(CC2CC2)C1
InChIInChI=1S/C13H24N2O/c1-2-3-13(16)15-8-11(6-10-4-5-10)7-12(14)9-15/h10-12H,2-9,14H2,1H3
InChIKeyOCLILSTVYKWPDC-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83989098
methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543231
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]octan-1-one
CID 43596223
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]decan-1-one
CID 65428472
1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989767
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
CID 112541312
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-3-ethoxypropan-1-one
CID 55091550
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-methylpentan-1-one
CID 43596073
1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989768
N-(1-butanoyl-5-ethylpiperidin-3-yl)acetamide
CID 112541827
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one (CID 83989168) is 1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CC(N)CC(CC2CC2)C1.
What is the InChIKey of 1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one?
The InChIKey is OCLILSTVYKWPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-13(16)15-8-11(6-10-4-5-10)7-12(14)9-15/h10-12H,2-9,14H2,1H3.
What are the key properties of 1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one?
1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 83989168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).