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

C27H37N3O2 — CID 126577342

IUPAC4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCCN3CCC(N4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C27H37N3O2/c1-32-26-12-10-23(11-13-26)22-6-8-24(9-7-22)27(31)28-16-5-17-29-20-14-25(15-21-29)30-18-3-2-4-19-30/h6-13,25H,2-5,14-21H2,1H3,(H,28,31)
InChIKeyQZTQIOFYMVHANA-UHFFFAOYSA-N
MW435.61 g/mol
LogP4.43
Rot. Bonds8

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

4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide (PubChem CID 126577342) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
PubChem CID126577342
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Name4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCCN3CCC(N4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C27H37N3O2/c1-32-26-12-10-23(11-13-26)22-6-8-24(9-7-22)27(31)28-16-5-17-29-20-14-25(15-21-29)30-18-3-2-4-19-30/h6-13,25H,2-5,14-21H2,1H3,(H,28,31)
InChIKeyQZTQIOFYMVHANA-UHFFFAOYSA-N
XLogP4.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462134
4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462328
4-(4-nitrophenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577390
4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577401
4-morpholin-4-yl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577349
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 123757094
4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide
CID 10597541
tert-butyl 4-[3-[(4-methoxybenzoyl)amino]propyl]piperazine-1-carboxylate
CID 47038372
2-(4-methoxyphenyl)-4-methyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 30540770
2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 20967727

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide (CID 126577342) is 4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide is COc1ccc(-c2ccc(C(=O)NCCCN3CCC(N4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The InChIKey is QZTQIOFYMVHANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-32-26-12-10-23(11-13-26)22-6-8-24(9-7-22)27(31)28-16-5-17-29-20-14-25(15-21-29)30-18-3-2-4-19-30/h6-13,25H,2-5,14-21H2,1H3,(H,28,31).
What are the key properties of 4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide has a molecular weight of 435.61 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 126577342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).