1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide

C23H26N4O2 — CID 171687153

IUPAC1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ncc[nH]3)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-29-19-6-4-5-18(15-19)20-7-2-3-8-21(20)26-23(28)17-9-13-27(14-10-17)16-22-24-11-12-25-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,24,25)(H,26,28)
InChIKeyVXOKXTDJZVCTNE-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.94
Rot. Bonds6

About 1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide

1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 171687153) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
PubChem CID171687153
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ncc[nH]3)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-29-19-6-4-5-18(15-19)20-7-2-3-8-21(20)26-23(28)17-9-13-27(14-10-17)16-22-24-11-12-25-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,24,25)(H,26,28)
InChIKeyVXOKXTDJZVCTNE-UHFFFAOYSA-N
XLogP3.94
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 171686778
N-[2-(3-methoxyphenyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 72929287
N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide
CID 126461711
N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42460267
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 171330847
1-[(3-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43920258
1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 38095087
N-[3-(3-methoxyphenyl)phenyl]-1-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 25309891
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine
CID 29183775
N-(2,4-difluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43923139
1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 167387723

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide (CID 171687153) is 1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide is COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ncc[nH]3)CC2)c1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is VXOKXTDJZVCTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-19-6-4-5-18(15-19)20-7-2-3-8-21(20)26-23(28)17-9-13-27(14-10-17)16-22-24-11-12-25-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,24,25)(H,26,28).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 171687153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).