3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide

C14H24N4O — CID 106626597

IUPAC3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1cncn1C
InChIInChI=1S/C14H24N4O/c1-11(2)18(9-12-6-4-5-7-16-12)14(19)13-8-15-10-17(13)3/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyJBHHWXURDGOVSA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.41
Rot. Bonds4

About 3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide

3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide (PubChem CID 106626597) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide
PubChem CID106626597
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1cncn1C
InChIInChI=1S/C14H24N4O/c1-11(2)18(9-12-6-4-5-7-16-12)14(19)13-8-15-10-17(13)3/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyJBHHWXURDGOVSA-UHFFFAOYSA-N
XLogP1.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
4-chloro-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106610041
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
3-ethyl-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106609915
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 106626546
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 106626701
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626366
3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106609608
N-(piperidin-2-ylmethyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
CID 106626410

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide (CID 106626597) is 3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide is CC(C)N(CC1CCCCN1)C(=O)c1cncn1C.
What is the InChIKey of 3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide?
The InChIKey is JBHHWXURDGOVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)18(9-12-6-4-5-7-16-12)14(19)13-8-15-10-17(13)3/h8,10-12,16H,4-7,9H2,1-3H3.
What are the key properties of 3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide?
3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 106626597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).