4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide

C12H20N4O — CID 106779170

IUPAC4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide
SMILESCCn1ccnc1C1CCNC(C(=O)NC)C1
InChIInChI=1S/C12H20N4O/c1-3-16-7-6-15-11(16)9-4-5-14-10(8-9)12(17)13-2/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,13,17)
InChIKeyNRMOJEQZVOZISI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.48
Rot. Bonds3

About 4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide

4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 106779170) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide
PubChem CID106779170
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide
SMILESCCn1ccnc1C1CCNC(C(=O)NC)C1
InChIInChI=1S/C12H20N4O/c1-3-16-7-6-15-11(16)9-4-5-14-10(8-9)12(17)13-2/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,13,17)
InChIKeyNRMOJEQZVOZISI-UHFFFAOYSA-N
XLogP0.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-propylimidazol-2-yl)piperidine-2-carboxamide
CID 106779104
N-(1-ethylimidazol-2-yl)azetidine-2-carboxamide
CID 130964367
2-(3-chlorocyclohexyl)-1-ethylimidazole
CID 64515914
[3-(1-ethylimidazol-2-yl)pyrrolidin-2-yl]methanol
CID 131165540
N-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxamide
CID 106779584
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 74238119
(1-ethylimidazol-2-yl)-morpholin-3-ylmethanone
CID 116576330
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 81020914
2-(2-cyclopropylimidazol-1-yl)acetic acid
CID 82560357
4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride
CID 75485592

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide (CID 106779170) is 4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide is CCn1ccnc1C1CCNC(C(=O)NC)C1.
What is the InChIKey of 4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is NRMOJEQZVOZISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16-7-6-15-11(16)9-4-5-14-10(8-9)12(17)13-2/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,13,17).
What are the key properties of 4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide?
4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 106779170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).