N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide

C22H26N4O — CID 68972790

IUPACN-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N(Cc2cccc(C#N)c2)C2CCNCC2)cc1
InChIInChI=1S/C22H26N4O/c1-17(27)25-15-18-5-7-21(8-6-18)26(22-9-11-24-12-10-22)16-20-4-2-3-19(13-20)14-23/h2-8,13,22,24H,9-12,15-16H2,1H3,(H,25,27)
InChIKeyVUELSDLRUOVVQR-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.95
Rot. Bonds6

About N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide

N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide (PubChem CID 68972790) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide
PubChem CID68972790
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N(Cc2cccc(C#N)c2)C2CCNCC2)cc1
InChIInChI=1S/C22H26N4O/c1-17(27)25-15-18-5-7-21(8-6-18)26(22-9-11-24-12-10-22)16-20-4-2-3-19(13-20)14-23/h2-8,13,22,24H,9-12,15-16H2,1H3,(H,25,27)
InChIKeyVUELSDLRUOVVQR-UHFFFAOYSA-N
XLogP2.95
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

[4-[(3-cyanophenyl)methyl-(1H-indol-5-yl)amino]piperidin-1-yl]-methylborinic acid;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzamide
CID 159541404
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
3-[4-[N-[(3-cyanophenyl)methyl]-4-(piperazine-1-carbonyl)anilino]piperidin-1-yl]butanamide
CID 68969000
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide
CID 68971770
3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide
CID 62676322
3-[(3-cyanophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397574
4-[benzyl(piperidin-4-yl)amino]benzamide
CID 174618733
1-[(3-cyanophenyl)methyl]-1-methyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 55629712
N-[3-[4-[(3-cyanophenyl)methyl-(2,3-dihydro-1H-isoindol-5-yl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide
CID 68970448
3-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]benzonitrile
CID 79715783

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide (CID 68972790) is N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide is CC(=O)NCc1ccc(N(Cc2cccc(C#N)c2)C2CCNCC2)cc1.
What is the InChIKey of N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide?
The InChIKey is VUELSDLRUOVVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17(27)25-15-18-5-7-21(8-6-18)26(22-9-11-24-12-10-22)16-20-4-2-3-19(13-20)14-23/h2-8,13,22,24H,9-12,15-16H2,1H3,(H,25,27).
What are the key properties of N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide?
N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 68972790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).