N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide

C24H28N4O2 — CID 46971613

IUPACN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide
SMILESCOc1cccc(C(NC(=O)c2cccc(N3CCCCC3)c2)c2nccn2C)c1
InChIInChI=1S/C24H28N4O2/c1-27-15-12-25-23(27)22(18-8-7-11-21(17-18)30-2)26-24(29)19-9-6-10-20(16-19)28-13-4-3-5-14-28/h6-12,15-17,22H,3-5,13-14H2,1-2H3,(H,26,29)
InChIKeySFFFPLAMFUAKGD-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.94
Rot. Bonds6

About N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide

N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide (PubChem CID 46971613) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide
PubChem CID46971613
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide
SMILESCOc1cccc(C(NC(=O)c2cccc(N3CCCCC3)c2)c2nccn2C)c1
InChIInChI=1S/C24H28N4O2/c1-27-15-12-25-23(27)22(18-8-7-11-21(17-18)30-2)26-24(29)19-9-6-10-20(16-19)28-13-4-3-5-14-28/h6-12,15-17,22H,3-5,13-14H2,1-2H3,(H,26,29)
InChIKeySFFFPLAMFUAKGD-UHFFFAOYSA-N
XLogP3.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3-acetamido-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923239
3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014722
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 134024613
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 31505088
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 51269163
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
3-methoxy-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772809
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide
CID 51273493

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide?
The IUPAC name of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide (CID 46971613) is N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide is COc1cccc(C(NC(=O)c2cccc(N3CCCCC3)c2)c2nccn2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide?
The InChIKey is SFFFPLAMFUAKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-27-15-12-25-23(27)22(18-8-7-11-21(17-18)30-2)26-24(29)19-9-6-10-20(16-19)28-13-4-3-5-14-28/h6-12,15-17,22H,3-5,13-14H2,1-2H3,(H,26,29).
What are the key properties of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide?
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide is sourced from PubChem (CID 46971613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).