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

C13H26N2O — CID 103902059

IUPAC(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESCCCC(C)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-8-11(2)14-12(3)13(16)15-9-6-5-7-10-15/h11-12,14H,4-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyBUTQKKMHSZGXKN-KIYNQFGBSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds5

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

(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 103902059) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID103902059
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESCCCC(C)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-8-11(2)14-12(3)13(16)15-9-6-5-7-10-15/h11-12,14H,4-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyBUTQKKMHSZGXKN-KIYNQFGBSA-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

2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652
2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 60642296
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677295
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
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-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide
CID 61464466
2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43401265

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one (CID 103902059) is (2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one is CCCC(C)N[C@@H](C)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is BUTQKKMHSZGXKN-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-8-11(2)14-12(3)13(16)15-9-6-5-7-10-15/h11-12,14H,4-10H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of (2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one?
(2S)-2-(pentan-2-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 (2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 103902059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).