3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide

C23H27N5O2 — CID 25056370

IUPAC3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
SMILESN#Cc1ccc(NC(=O)NCc2cccc(C(=O)NCCC3CCCNC3)c2)cc1
InChIInChI=1S/C23H27N5O2/c24-14-17-6-8-21(9-7-17)28-23(30)27-16-19-3-1-5-20(13-19)22(29)26-12-10-18-4-2-11-25-15-18/h1,3,5-9,13,18,25H,2,4,10-12,15-16H2,(H,26,29)(H2,27,28,30)
InChIKeyDDXSWRNQMBOYNX-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.00
Rot. Bonds7

About 3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide

3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 25056370) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID25056370
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
SMILESN#Cc1ccc(NC(=O)NCc2cccc(C(=O)NCCC3CCCNC3)c2)cc1
InChIInChI=1S/C23H27N5O2/c24-14-17-6-8-21(9-7-17)28-23(30)27-16-19-3-1-5-20(13-19)22(29)26-12-10-18-4-2-11-25-15-18/h1,3,5-9,13,18,25H,2,4,10-12,15-16H2,(H,26,29)(H2,27,28,30)
InChIKeyDDXSWRNQMBOYNX-UHFFFAOYSA-N
XLogP3.00
TPSA106.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide (CID 25056370) is 3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide is N#Cc1ccc(NC(=O)NCc2cccc(C(=O)NCCC3CCCNC3)c2)cc1.
What is the InChIKey of 3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is DDXSWRNQMBOYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c24-14-17-6-8-21(9-7-17)28-23(30)27-16-19-3-1-5-20(13-19)22(29)26-12-10-18-4-2-11-25-15-18/h1,3,5-9,13,18,25H,2,4,10-12,15-16H2,(H,26,29)(H2,27,28,30).
What are the key properties of 3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide?
3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.00, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 25056370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).