N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide

C24H27FN4O2 — CID 66682891

IUPACN-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide
SMILESCOc1cc(-c2cn(C(=O)N(C)C3CCN(Cc4ccccc4)CC3)cn2)ccc1F
InChIInChI=1S/C24H27FN4O2/c1-27(20-10-12-28(13-11-20)15-18-6-4-3-5-7-18)24(30)29-16-22(26-17-29)19-8-9-21(25)23(14-19)31-2/h3-9,14,16-17,20H,10-13,15H2,1-2H3
InChIKeyRJVPHVYEVYDMMD-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.26
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide

N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide (PubChem CID 66682891) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide
PubChem CID66682891
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide
SMILESCOc1cc(-c2cn(C(=O)N(C)C3CCN(Cc4ccccc4)CC3)cn2)ccc1F
InChIInChI=1S/C24H27FN4O2/c1-27(20-10-12-28(13-11-20)15-18-6-4-3-5-7-18)24(30)29-16-22(26-17-29)19-8-9-21(25)23(14-19)31-2/h3-9,14,16-17,20H,10-13,15H2,1-2H3
InChIKeyRJVPHVYEVYDMMD-UHFFFAOYSA-N
XLogP4.26
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide (CID 66682891) is N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide is COc1cc(-c2cn(C(=O)N(C)C3CCN(Cc4ccccc4)CC3)cn2)ccc1F.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide?
The InChIKey is RJVPHVYEVYDMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-27(20-10-12-28(13-11-20)15-18-6-4-3-5-7-18)24(30)29-16-22(26-17-29)19-8-9-21(25)23(14-19)31-2/h3-9,14,16-17,20H,10-13,15H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 66682891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).