4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide

C31H44N4O2 — CID 126577401

IUPAC4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C31H44N4O2/c36-31(32-15-4-16-33-19-13-30(14-20-33)35-17-2-1-3-18-35)29-11-9-28(10-12-29)27-7-5-26(6-8-27)25-34-21-23-37-24-22-34/h5-12,30H,1-4,13-25H2,(H,32,36)
InChIKeySBVDFCJQHRYVKS-UHFFFAOYSA-N
MW504.72 g/mol
LogP4.26
Rot. Bonds9

About 4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide

4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide (PubChem CID 126577401) has the molecular formula C31H44N4O2 and a molecular weight of 504.72 g/mol. Its IUPAC name is 4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
PubChem CID126577401
Molecular FormulaC31H44N4O2
Molecular Weight504.72 g/mol
Exact Mass504.35
IUPAC Name4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C31H44N4O2/c36-31(32-15-4-16-33-19-13-30(14-20-33)35-17-2-1-3-18-35)29-11-9-28(10-12-29)27-7-5-26(6-8-27)25-34-21-23-37-24-22-34/h5-12,30H,1-4,13-25H2,(H,32,36)
InChIKeySBVDFCJQHRYVKS-UHFFFAOYSA-N
XLogP4.26
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.72
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide 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-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462328
4-morpholin-4-yl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577349
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577342
4-(4-nitrophenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577390
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 53108652
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014

Frequently Asked Questions

What is the IUPAC name of 4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide (CID 126577401) is 4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide is O=C(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The InChIKey is SBVDFCJQHRYVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4O2/c36-31(32-15-4-16-33-19-13-30(14-20-33)35-17-2-1-3-18-35)29-11-9-28(10-12-29)27-7-5-26(6-8-27)25-34-21-23-37-24-22-34/h5-12,30H,1-4,13-25H2,(H,32,36).
What are the key properties of 4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide has a molecular weight of 504.72 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 126577401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).