3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide

C29H35N5O2 — CID 10184643

IUPAC3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C29H35N5O2/c1-3-33(4-2)29(36)22-11-13-25(14-12-22)34(27-10-7-8-23(20-27)28(30)35)26-15-18-32(19-16-26)21-24-9-5-6-17-31-24/h5-14,17,20,26H,3-4,15-16,18-19,21H2,1-2H3,(H2,30,35)
InChIKeyGRGQARAXZATPBE-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.47
Rot. Bonds9

About 3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide

3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide (PubChem CID 10184643) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide.

Molecular Properties

Compound Name3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide
PubChem CID10184643
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C29H35N5O2/c1-3-33(4-2)29(36)22-11-13-25(14-12-22)34(27-10-7-8-23(20-27)28(30)35)26-15-18-32(19-16-26)21-24-9-5-6-17-31-24/h5-14,17,20,26H,3-4,15-16,18-19,21H2,1-2H3,(H2,30,35)
InChIKeyGRGQARAXZATPBE-UHFFFAOYSA-N
XLogP4.47
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(diethylcarbamoyl)-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]anilino]-4-fluorobenzamide
CID 10164473
3-[4-(diethylcarbamoyl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]anilino]-4-fluorobenzamide
CID 10278202
4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide
CID 142071760
3-[4-[di(propan-2-yl)carbamoyl]-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]anilino]benzamide
CID 10279577
3-[4-[di(propan-2-yl)carbamoyl]-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]anilino]benzamide
CID 10279578
[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-methylcarbamic acid
CID 67242524
N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide
CID 45486062
N,N-diethyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;dihydrochloride
CID 22677871
N,N-diethylbenzamide;methyl N-[3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]amino]phenyl]carbamate
CID 142891892
N-[[4-[benzyl(methyl)amino]phenyl]methyl]-4-pentyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 11365179
3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 42858106
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide?
The IUPAC name of 3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide (CID 10184643) is 3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide.
What is the SMILES notation for 3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide?
The canonical SMILES for 3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide?
The InChIKey is GRGQARAXZATPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-3-33(4-2)29(36)22-11-13-25(14-12-22)34(27-10-7-8-23(20-27)28(30)35)26-15-18-32(19-16-26)21-24-9-5-6-17-31-24/h5-14,17,20,26H,3-4,15-16,18-19,21H2,1-2H3,(H2,30,35).
What are the key properties of 3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide?
3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide has a molecular weight of 485.63 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide is sourced from PubChem (CID 10184643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).