1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide

C14H22N4O — CID 91832182

IUPAC1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cncn1C1CC1
InChIInChI=1S/C14H22N4O/c1-15-14(19)13-4-2-3-7-17(13)9-12-8-16-10-18(12)11-5-6-11/h8,10-11,13H,2-7,9H2,1H3,(H,15,19)
InChIKeyCRGFJKYAFDSVLV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.32
Rot. Bonds4

About 1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide

1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 91832182) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID91832182
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cncn1C1CC1
InChIInChI=1S/C14H22N4O/c1-15-14(19)13-4-2-3-7-17(13)9-12-8-16-10-18(12)11-5-6-11/h8,10-11,13H,2-7,9H2,1H3,(H,15,19)
InChIKeyCRGFJKYAFDSVLV-UHFFFAOYSA-N
XLogP1.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide (CID 91832182) is 1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1cncn1C1CC1.
What is the InChIKey of 1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is CRGFJKYAFDSVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-15-14(19)13-4-2-3-7-17(13)9-12-8-16-10-18(12)11-5-6-11/h8,10-11,13H,2-7,9H2,1H3,(H,15,19).
What are the key properties of 1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropylimidazol-4-yl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 91832182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).