2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one

C19H31N3O — CID 171475026

IUPAC2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one
SMILESCC1=C(N(C)CC2CCN(C3CCNCC3)CC2)C=CCC1=O
InChIInChI=1S/C19H31N3O/c1-15-18(4-3-5-19(15)23)21(2)14-16-8-12-22(13-9-16)17-6-10-20-11-7-17/h3-4,16-17,20H,5-14H2,1-2H3
InChIKeyQQEPLYAVUIISKQ-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.19
Rot. Bonds4

About 2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one

2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one (PubChem CID 171475026) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one
PubChem CID171475026
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one
SMILESCC1=C(N(C)CC2CCN(C3CCNCC3)CC2)C=CCC1=O
InChIInChI=1S/C19H31N3O/c1-15-18(4-3-5-19(15)23)21(2)14-16-8-12-22(13-9-16)17-6-10-20-11-7-17/h3-4,16-17,20H,5-14H2,1-2H3
InChIKeyQQEPLYAVUIISKQ-UHFFFAOYSA-N
XLogP2.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-1,2,3,6-tetrahydropyridin-5-yl]ethanone
CID 89085344
(2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione
CID 129110583
(6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one
CID 141437297
4-[4-[[4-(3-Aminocyclobutyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylcyclohexa-2,4-dien-1-one
CID 171475007
2-Methyl-3-(9-piperidin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)cyclohexa-2,4-dien-1-one
CID 171475039
(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one;ethane
CID 177062047
(6Z)-6-[amino-(1-ethylpiperidin-4-yl)methylidene]cyclohexa-2,3,4-trien-1-one
CID 177062048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one?
The IUPAC name of 2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one (CID 171475026) is 2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one is CC1=C(N(C)CC2CCN(C3CCNCC3)CC2)C=CCC1=O.
What is the InChIKey of 2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one?
The InChIKey is QQEPLYAVUIISKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15-18(4-3-5-19(15)23)21(2)14-16-8-12-22(13-9-16)17-6-10-20-11-7-17/h3-4,16-17,20H,5-14H2,1-2H3.
What are the key properties of 2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one?
2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one has a molecular weight of 317.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 171475026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).