N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide

C21H28N4O3 — CID 142771800

IUPACN-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide
SMILESCCC(=O)N1CCC(NC(=O)n2ccnc2)(c2ccc(COC)cc2)CC1C
InChIInChI=1S/C21H28N4O3/c1-4-19(26)25-11-9-21(13-16(25)2,23-20(27)24-12-10-22-15-24)18-7-5-17(6-8-18)14-28-3/h5-8,10,12,15-16H,4,9,11,13-14H2,1-3H3,(H,23,27)
InChIKeyWHNZUFOSBXELRD-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.90
Rot. Bonds5

About N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide

N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide (PubChem CID 142771800) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide
PubChem CID142771800
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide
SMILESCCC(=O)N1CCC(NC(=O)n2ccnc2)(c2ccc(COC)cc2)CC1C
InChIInChI=1S/C21H28N4O3/c1-4-19(26)25-11-9-21(13-16(25)2,23-20(27)24-12-10-22-15-24)18-7-5-17(6-8-18)14-28-3/h5-8,10,12,15-16H,4,9,11,13-14H2,1-3H3,(H,23,27)
InChIKeyWHNZUFOSBXELRD-UHFFFAOYSA-N
XLogP2.90
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide?
The IUPAC name of N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide (CID 142771800) is N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide is CCC(=O)N1CCC(NC(=O)n2ccnc2)(c2ccc(COC)cc2)CC1C.
What is the InChIKey of N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide?
The InChIKey is WHNZUFOSBXELRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-4-19(26)25-11-9-21(13-16(25)2,23-20(27)24-12-10-22-15-24)18-7-5-17(6-8-18)14-28-3/h5-8,10,12,15-16H,4,9,11,13-14H2,1-3H3,(H,23,27).
What are the key properties of N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide?
N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methoxymethyl)phenyl]-2-methyl-1-propanoylpiperidin-4-yl]imidazole-1-carboxamide is sourced from PubChem (CID 142771800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).