(6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one

C15H24N2O — CID 141437297

IUPAC(6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one
SMILESCC(C)CN[C@H]1C=CC(N2CCCCC2)=CC1=O
InChIInChI=1S/C15H24N2O/c1-12(2)11-16-14-7-6-13(10-15(14)18)17-8-4-3-5-9-17/h6-7,10,12,14,16H,3-5,8-9,11H2,1-2H3/t14-/m0/s1
InChIKeyPVCXPWNYJMRLNC-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds4

About (6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one

(6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one (PubChem CID 141437297) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one
PubChem CID141437297
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one
SMILESCC(C)CN[C@H]1C=CC(N2CCCCC2)=CC1=O
InChIInChI=1S/C15H24N2O/c1-12(2)11-16-14-7-6-13(10-15(14)18)17-8-4-3-5-9-17/h6-7,10,12,14,16H,3-5,8-9,11H2,1-2H3/t14-/m0/s1
InChIKeyPVCXPWNYJMRLNC-AWEZNQCLSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one
CID 70083408
1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one
CID 89153826
(3Z)-3-(cyclohexylamino)-4-piperazin-1-ylhexa-3,5-dien-2-one
CID 89243332
1-(4-Aminocyclohexa-1,5-dien-1-yl)piperidin-4-one
CID 89256470
(6S)-6-(2-methylpropylamino)-3-pyrrolidin-1-ylcyclohexa-2,4-dien-1-one
CID 141437294
(6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 141437296
2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one
CID 156769938
2-Methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one
CID 171475026

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of (6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one (CID 141437297) is (6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for (6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one is CC(C)CN[C@H]1C=CC(N2CCCCC2)=CC1=O.
What is the InChIKey of (6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one?
The InChIKey is PVCXPWNYJMRLNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)11-16-14-7-6-13(10-15(14)18)17-8-4-3-5-9-17/h6-7,10,12,14,16H,3-5,8-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one?
(6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one has a molecular weight of 248.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141437297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).