4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide

C20H29N5O — CID 72864352

IUPAC4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(c2nccn2CCN(C)C)CC1
InChIInChI=1S/C20H29N5O/c1-16-6-4-5-7-18(16)22-20(26)25-11-8-17(9-12-25)19-21-10-13-24(19)15-14-23(2)3/h4-7,10,13,17H,8-9,11-12,14-15H2,1-3H3,(H,22,26)
InChIKeyLOYKTHOXWQXHLU-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.16
Rot. Bonds5

About 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide

4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide (PubChem CID 72864352) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
PubChem CID72864352
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(c2nccn2CCN(C)C)CC1
InChIInChI=1S/C20H29N5O/c1-16-6-4-5-7-18(16)22-20(26)25-11-8-17(9-12-25)19-21-10-13-24(19)15-14-23(2)3/h4-7,10,13,17H,8-9,11-12,14-15H2,1-3H3,(H,22,26)
InChIKeyLOYKTHOXWQXHLU-UHFFFAOYSA-N
XLogP3.16
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 72867590
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 97284668
(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 97202915
(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide
CID 97193180
(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one
CID 97206870
1-[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97281969
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 97123595
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72896443
1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 97268736
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide (CID 72864352) is 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC(c2nccn2CCN(C)C)CC1.
What is the InChIKey of 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is LOYKTHOXWQXHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16-6-4-5-7-18(16)22-20(26)25-11-8-17(9-12-25)19-21-10-13-24(19)15-14-23(2)3/h4-7,10,13,17H,8-9,11-12,14-15H2,1-3H3,(H,22,26).
What are the key properties of 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide?
4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 72864352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).