4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide

C26H35N5O2 — CID 142071760

IUPAC4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CC3=CNCN3)CC2)cc1
InChIInChI=1S/C26H35N5O2/c1-3-30(4-2)26(33)20-8-10-22(11-9-20)31(24-6-5-7-25(32)16-24)23-12-14-29(15-13-23)18-21-17-27-19-28-21/h5-11,16-17,23,27-28,32H,3-4,12-15,18-19H2,1-2H3
InChIKeyGBAGNAPSQLECJM-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.47
Rot. Bonds8

About 4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide

4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide (PubChem CID 142071760) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide
PubChem CID142071760
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CC3=CNCN3)CC2)cc1
InChIInChI=1S/C26H35N5O2/c1-3-30(4-2)26(33)20-8-10-22(11-9-20)31(24-6-5-7-25(32)16-24)23-12-14-29(15-13-23)18-21-17-27-19-28-21/h5-11,16-17,23,27-28,32H,3-4,12-15,18-19H2,1-2H3
InChIKeyGBAGNAPSQLECJM-UHFFFAOYSA-N
XLogP3.47
TPSA71.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide
CID 45486062
3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide
CID 10184643
N,N-diethyl-4-(3-hydroxy-N-[(3R,4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide
CID 101103653
N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide
CID 12988887
3-[4-(diethylcarbamoyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]anilino]-2-fluorobenzamide
CID 22054741
N,N-diethyl-4-(N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methylsulfanylanilino)benzamide;hydrochloride
CID 70214607
3-[4-(diethylcarbamoyl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]anilino]-4-fluorobenzamide
CID 10278202
4-(N-(1-benzylpiperidin-4-yl)-5-cyano-2-fluoroanilino)-N,N-diethylbenzamide
CID 21031260
3-(N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide;N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-yl)amino]benzamide;N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide;N,N-diethyl-4-(N-piperidin-3-ylanilino)benzamide;N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide
CID 162163299
3-[4-(diethylcarbamoyl)-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]anilino]-4-fluorobenzamide
CID 10164473
3-[4-(diethylcarbamoyl)-N-(1-methylpiperidin-4-yl)anilino]-4-fluorobenzoic acid
CID 21031259
3-[4-[di(propan-2-yl)carbamoyl]-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]anilino]benzamide
CID 10279578

Frequently Asked Questions

What is the IUPAC name of 4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide?
The IUPAC name of 4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide (CID 142071760) is 4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide?
The canonical SMILES for 4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CC3=CNCN3)CC2)cc1.
What is the InChIKey of 4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide?
The InChIKey is GBAGNAPSQLECJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-3-30(4-2)26(33)20-8-10-22(11-9-20)31(24-6-5-7-25(32)16-24)23-12-14-29(15-13-23)18-21-17-27-19-28-21/h5-11,16-17,23,27-28,32H,3-4,12-15,18-19H2,1-2H3.
What are the key properties of 4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide?
4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide has a molecular weight of 449.60 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide is sourced from PubChem (CID 142071760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).