N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide

C11H18N4O — CID 104596933

IUPACN-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NCc2cnc[nH]2)CCCCN1
InChIInChI=1S/C11H18N4O/c1-11(4-2-3-5-15-11)10(16)13-7-9-6-12-8-14-9/h6,8,15H,2-5,7H2,1H3,(H,12,14)(H,13,16)
InChIKeyAUHJASQLOMGWKO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.56
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide

N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide (PubChem CID 104596933) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide
PubChem CID104596933
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NCc2cnc[nH]2)CCCCN1
InChIInChI=1S/C11H18N4O/c1-11(4-2-3-5-15-11)10(16)13-7-9-6-12-8-14-9/h6,8,15H,2-5,7H2,1H3,(H,12,14)(H,13,16)
InChIKeyAUHJASQLOMGWKO-UHFFFAOYSA-N
XLogP0.56
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide (CID 104596933) is N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide is CC1(C(=O)NCc2cnc[nH]2)CCCCN1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is AUHJASQLOMGWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(4-2-3-5-15-11)10(16)13-7-9-6-12-8-14-9/h6,8,15H,2-5,7H2,1H3,(H,12,14)(H,13,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide?
N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).