4-(1-propylimidazol-2-yl)piperidine-2-carboxamide

C12H20N4O — CID 106779104

IUPAC4-(1-propylimidazol-2-yl)piperidine-2-carboxamide
SMILESCCCn1ccnc1C1CCNC(C(N)=O)C1
InChIInChI=1S/C12H20N4O/c1-2-6-16-7-5-15-12(16)9-3-4-14-10(8-9)11(13)17/h5,7,9-10,14H,2-4,6,8H2,1H3,(H2,13,17)
InChIKeyMRUZHVUHPUILHS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.61
Rot. Bonds4

About 4-(1-propylimidazol-2-yl)piperidine-2-carboxamide

4-(1-propylimidazol-2-yl)piperidine-2-carboxamide (PubChem CID 106779104) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(1-propylimidazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-(1-propylimidazol-2-yl)piperidine-2-carboxamide
PubChem CID106779104
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(1-propylimidazol-2-yl)piperidine-2-carboxamide
SMILESCCCn1ccnc1C1CCNC(C(N)=O)C1
InChIInChI=1S/C12H20N4O/c1-2-6-16-7-5-15-12(16)9-3-4-14-10(8-9)11(13)17/h5,7,9-10,14H,2-4,6,8H2,1H3,(H2,13,17)
InChIKeyMRUZHVUHPUILHS-UHFFFAOYSA-N
XLogP0.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide
CID 106779170
4-(2-methylpyrazol-3-yl)piperidine-2-carboxamide
CID 106779071
2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid
CID 81008890
2-[2-[1-(2-propoxyethyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72891987
4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine
CID 81014963
1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide
CID 175343149
N-(1-ethylimidazol-2-yl)azetidine-2-carboxamide
CID 130964367
(2S,4R)-4-hexylpiperidine-2-carboxamide
CID 142863438
2-(3-chlorocyclohexyl)-1-ethylimidazole
CID 64515914
2-(2-cyclopropylimidazol-1-yl)acetic acid
CID 82560357
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
N-methyl-1-[2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
CID 81027726

Frequently Asked Questions

What is the IUPAC name of 4-(1-propylimidazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of 4-(1-propylimidazol-2-yl)piperidine-2-carboxamide (CID 106779104) is 4-(1-propylimidazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 4-(1-propylimidazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 4-(1-propylimidazol-2-yl)piperidine-2-carboxamide is CCCn1ccnc1C1CCNC(C(N)=O)C1.
What is the InChIKey of 4-(1-propylimidazol-2-yl)piperidine-2-carboxamide?
The InChIKey is MRUZHVUHPUILHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-6-16-7-5-15-12(16)9-3-4-14-10(8-9)11(13)17/h5,7,9-10,14H,2-4,6,8H2,1H3,(H2,13,17).
What are the key properties of 4-(1-propylimidazol-2-yl)piperidine-2-carboxamide?
4-(1-propylimidazol-2-yl)piperidine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylimidazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 106779104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).