(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone

C16H20N4O — CID 119490395

IUPAC(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C16H20N4O/c1-17-14-3-2-9-19(11-14)16(21)13-4-6-15(7-5-13)20-10-8-18-12-20/h4-8,10,12,14,17H,2-3,9,11H2,1H3
InChIKeyDQCRDTYLOOEDCX-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.70
Rot. Bonds3

About (4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone

(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119490395) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119490395
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C16H20N4O/c1-17-14-3-2-9-19(11-14)16(21)13-4-6-15(7-5-13)20-10-8-18-12-20/h4-8,10,12,14,17H,2-3,9,11H2,1H3
InChIKeyDQCRDTYLOOEDCX-UHFFFAOYSA-N
XLogP1.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670
(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650241
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 119490960
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488829
[3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 119493758
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119490395) is (4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is DQCRDTYLOOEDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-14-3-2-9-19(11-14)16(21)13-4-6-15(7-5-13)20-10-8-18-12-20/h4-8,10,12,14,17H,2-3,9,11H2,1H3.
What are the key properties of (4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119490395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).