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

C27H37N3O2 — CID 118462328

IUPAC4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(-c2ccc(CO)cc2)cc1
InChIInChI=1S/C27H37N3O2/c31-21-22-5-7-23(8-6-22)24-9-11-25(12-10-24)27(32)28-15-4-16-29-19-13-26(14-20-29)30-17-2-1-3-18-30/h5-12,26,31H,1-4,13-21H2,(H,28,32)
InChIKeyCQSNFPVWXPLODZ-UHFFFAOYSA-N
MW435.61 g/mol
LogP3.92
Rot. Bonds8

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

4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide (PubChem CID 118462328) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
PubChem CID118462328
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Name4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(-c2ccc(CO)cc2)cc1
InChIInChI=1S/C27H37N3O2/c31-21-22-5-7-23(8-6-22)24-9-11-25(12-10-24)27(32)28-15-4-16-29-19-13-26(14-20-29)30-17-2-1-3-18-30/h5-12,26,31H,1-4,13-21H2,(H,28,32)
InChIKeyCQSNFPVWXPLODZ-UHFFFAOYSA-N
XLogP3.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577401
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-morpholin-4-yl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577349
N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 123757094
4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462134
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
6-oxo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 20885129
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
CID 30942685
4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide
CID 123454556

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide (CID 118462328) is 4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide is O=C(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(-c2ccc(CO)cc2)cc1.
What is the InChIKey of 4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The InChIKey is CQSNFPVWXPLODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c31-21-22-5-7-23(8-6-22)24-9-11-25(12-10-24)27(32)28-15-4-16-29-19-13-26(14-20-29)30-17-2-1-3-18-30/h5-12,26,31H,1-4,13-21H2,(H,28,32).
What are the key properties of 4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide has a molecular weight of 435.61 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 118462328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).