4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide

C18H29N5O2 — CID 53181740

IUPAC4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(n2c(C)nc(C(=O)N3CCCCC3)c2C)CC1
InChIInChI=1S/C18H29N5O2/c1-13-16(17(24)21-9-5-4-6-10-21)20-14(2)23(13)15-7-11-22(12-8-15)18(25)19-3/h15H,4-12H2,1-3H3,(H,19,25)
InChIKeyWQNZNGUOYOHKOT-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.10
Rot. Bonds2

About 4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide

4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 53181740) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide
PubChem CID53181740
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(n2c(C)nc(C(=O)N3CCCCC3)c2C)CC1
InChIInChI=1S/C18H29N5O2/c1-13-16(17(24)21-9-5-4-6-10-21)20-14(2)23(13)15-7-11-22(12-8-15)18(25)19-3/h15H,4-12H2,1-3H3,(H,19,25)
InChIKeyWQNZNGUOYOHKOT-UHFFFAOYSA-N
XLogP2.10
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide (CID 53181740) is 4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(n2c(C)nc(C(=O)N3CCCCC3)c2C)CC1.
What is the InChIKey of 4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is WQNZNGUOYOHKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13-16(17(24)21-9-5-4-6-10-21)20-14(2)23(13)15-7-11-22(12-8-15)18(25)19-3/h15H,4-12H2,1-3H3,(H,19,25).
What are the key properties of 4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide?
4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 53181740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).