N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

C20H26N4O2 — CID 24819322

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1cnc(CN(C)C(=O)C2CCC(=O)N(CCc3ccccc3)C2)[nH]1
InChIInChI=1S/C20H26N4O2/c1-15-12-21-18(22-15)14-23(2)20(26)17-8-9-19(25)24(13-17)11-10-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,21,22)
InChIKeyLHALWYGZHNJCRP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.16
Rot. Bonds6

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 24819322) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID24819322
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1cnc(CN(C)C(=O)C2CCC(=O)N(CCc3ccccc3)C2)[nH]1
InChIInChI=1S/C20H26N4O2/c1-15-12-21-18(22-15)14-23(2)20(26)17-8-9-19(25)24(13-17)11-10-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,21,22)
InChIKeyLHALWYGZHNJCRP-UHFFFAOYSA-N
XLogP2.16
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (CID 24819322) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is Cc1cnc(CN(C)C(=O)C2CCC(=O)N(CCc3ccccc3)C2)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is LHALWYGZHNJCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-12-21-18(22-15)14-23(2)20(26)17-8-9-19(25)24(13-17)11-10-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24819322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).