1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile

C26H27N5O — CID 10093925

IUPAC1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile
SMILESN#CC1(Nc2cccnc2)CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H27N5O/c27-20-26(30-23-12-7-15-28-18-23)13-16-31(17-14-26)24(32)19-29-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,15,18,25,29-30H,13-14,16-17,19H2
InChIKeyPVQYUXJUBSYORS-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.76
Rot. Bonds7

About 1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile

1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile (PubChem CID 10093925) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile
PubChem CID10093925
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile
SMILESN#CC1(Nc2cccnc2)CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H27N5O/c27-20-26(30-23-12-7-15-28-18-23)13-16-31(17-14-26)24(32)19-29-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,15,18,25,29-30H,13-14,16-17,19H2
InChIKeyPVQYUXJUBSYORS-UHFFFAOYSA-N
XLogP3.76
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile (CID 10093925) is 1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile is N#CC1(Nc2cccnc2)CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile?
The InChIKey is PVQYUXJUBSYORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c27-20-26(30-23-12-7-15-28-18-23)13-16-31(17-14-26)24(32)19-29-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,15,18,25,29-30H,13-14,16-17,19H2.
What are the key properties of 1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile?
1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile has a molecular weight of 425.54 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzhydrylamino)acetyl]-4-(pyridin-3-ylamino)piperidine-4-carbonitrile is sourced from PubChem (CID 10093925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).