2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide

C30H34N4O — CID 21106887

IUPAC2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1N(c1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H34N4O/c1-3-33(4-2)30(35)28-15-8-9-16-29(28)34(27-14-10-13-25(21-27)22-31)26-17-19-32(20-18-26)23-24-11-6-5-7-12-24/h5-16,21,26H,3-4,17-20,23H2,1-2H3
InChIKeyORFKQKLPTWHWFM-UHFFFAOYSA-N
MW466.63 g/mol
LogP5.84
Rot. Bonds8

About 2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide

2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide (PubChem CID 21106887) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is 2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide
PubChem CID21106887
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC Name2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1N(c1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H34N4O/c1-3-33(4-2)30(35)28-15-8-9-16-29(28)34(27-14-10-13-25(21-27)22-31)26-17-19-32(20-18-26)23-24-11-6-5-7-12-24/h5-16,21,26H,3-4,17-20,23H2,1-2H3
InChIKeyORFKQKLPTWHWFM-UHFFFAOYSA-N
XLogP5.84
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(N-(1-benzylpiperidin-4-yl)-5-cyano-2-fluoroanilino)-N,N-diethylbenzamide
CID 21031260
1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea
CID 70086808
2-[N-(1-benzylpiperidin-4-yl)-5-(1,3-dioxolan-2-yl)-2-fluoroanilino]-N,N-diethylbenzamide
CID 22054747
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
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 24731097
4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid
CID 18662881
2-[N-(1-benzylpiperidin-4-yl)-5-(1,3-dioxolan-2-yl)-2-fluoroanilino]-N,N-di(propan-2-yl)benzamide
CID 22238327
2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
CID 57245914
3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 24732540
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 24731106
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31692602
3-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]propanamide
CID 77083170

Frequently Asked Questions

What is the IUPAC name of 2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide?
The IUPAC name of 2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide (CID 21106887) is 2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide.
What is the SMILES notation for 2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide?
The canonical SMILES for 2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccccc1N(c1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide?
The InChIKey is ORFKQKLPTWHWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O/c1-3-33(4-2)30(35)28-15-8-9-16-29(28)34(27-14-10-13-25(21-27)22-31)26-17-19-32(20-18-26)23-24-11-6-5-7-12-24/h5-16,21,26H,3-4,17-20,23H2,1-2H3.
What are the key properties of 2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide?
2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide has a molecular weight of 466.63 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide is sourced from PubChem (CID 21106887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).