2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one

C13H26N2O — CID 43083625

IUPAC2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESCCC(CC)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-12(5-2)14-11(3)13(16)15-9-7-6-8-10-15/h11-12,14H,4-10H2,1-3H3
InChIKeyCZMHKHFOWOHSKS-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds5

About 2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one

2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 43083625) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID43083625
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESCCC(CC)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-12(5-2)14-11(3)13(16)15-9-7-6-8-10-15/h11-12,14H,4-10H2,1-3H3
InChIKeyCZMHKHFOWOHSKS-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677295
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
CID 79248979
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929
2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one
CID 60930878
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide
CID 61464466
2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 60642296
2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43401265

Frequently Asked Questions

What is the IUPAC name of 2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one (CID 43083625) is 2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one is CCC(CC)NC(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is CZMHKHFOWOHSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-12(5-2)14-11(3)13(16)15-9-7-6-8-10-15/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one?
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43083625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).