N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide

C27H32N4O2 — CID 10297282

IUPACN,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ncc[nH]3)CC2)c2cccc(O)c2)cc1
InChIInChI=1S/C27H32N4O2/c1-3-31(4-2)27(33)22-10-8-20(9-11-22)26(23-6-5-7-24(32)18-23)21-12-16-30(17-13-21)19-25-28-14-15-29-25/h5-11,14-15,18,32H,3-4,12-13,16-17,19H2,1-2H3,(H,28,29)
InChIKeyUDHNNTPIYVEGGV-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.70
Rot. Bonds7

About N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide

N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide (PubChem CID 10297282) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
PubChem CID10297282
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ncc[nH]3)CC2)c2cccc(O)c2)cc1
InChIInChI=1S/C27H32N4O2/c1-3-31(4-2)27(33)22-10-8-20(9-11-22)26(23-6-5-7-24(32)18-23)21-12-16-30(17-13-21)19-25-28-14-15-29-25/h5-11,14-15,18,32H,3-4,12-13,16-17,19H2,1-2H3,(H,28,29)
InChIKeyUDHNNTPIYVEGGV-UHFFFAOYSA-N
XLogP4.70
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide (CID 10297282) is N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ncc[nH]3)CC2)c2cccc(O)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The InChIKey is UDHNNTPIYVEGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-3-31(4-2)27(33)22-10-8-20(9-11-22)26(23-6-5-7-24(32)18-23)21-12-16-30(17-13-21)19-25-28-14-15-29-25/h5-11,14-15,18,32H,3-4,12-13,16-17,19H2,1-2H3,(H,28,29).
What are the key properties of N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide is sourced from PubChem (CID 10297282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).