1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one

C14H28N2O — CID 59677767

IUPAC1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one
SMILESCC(C)N[C@H](CN1CCCCC1=O)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)15-12(14(3,4)5)10-16-9-7-6-8-13(16)17/h11-12,15H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyARQQNNGORGMQTN-GFCCVEGCSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds4

About 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one

1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one (PubChem CID 59677767) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one
PubChem CID59677767
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one
SMILESCC(C)N[C@H](CN1CCCCC1=O)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)15-12(14(3,4)5)10-16-9-7-6-8-13(16)17/h11-12,15H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyARQQNNGORGMQTN-GFCCVEGCSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one?
The IUPAC name of 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one (CID 59677767) is 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one.
What is the SMILES notation for 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one?
The canonical SMILES for 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one is CC(C)N[C@H](CN1CCCCC1=O)C(C)(C)C.
What is the InChIKey of 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one?
The InChIKey is ARQQNNGORGMQTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)15-12(14(3,4)5)10-16-9-7-6-8-13(16)17/h11-12,15H,6-10H2,1-5H3/t12-/m1/s1.
What are the key properties of 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one?
1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidin-2-one is sourced from PubChem (CID 59677767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).