N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide

C26H33N3O2 — CID 1066436

IUPACN-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)c3ccccc3)ccc2N2CCC(C)CC2)CC1
InChIInChI=1S/C26H33N3O2/c1-19-10-14-28(15-11-19)24-9-8-22(27-25(30)21-6-4-3-5-7-21)18-23(24)26(31)29-16-12-20(2)13-17-29/h3-9,18-20H,10-17H2,1-2H3,(H,27,30)
InChIKeyYVEOQZCSMQAXDJ-UHFFFAOYSA-N
MW419.57 g/mol
LogP5.05
Rot. Bonds4

About N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide

N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide (PubChem CID 1066436) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
PubChem CID1066436
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)c3ccccc3)ccc2N2CCC(C)CC2)CC1
InChIInChI=1S/C26H33N3O2/c1-19-10-14-28(15-11-19)24-9-8-22(27-25(30)21-6-4-3-5-7-21)18-23(24)26(31)29-16-12-20(2)13-17-29/h3-9,18-20H,10-17H2,1-2H3,(H,27,30)
InChIKeyYVEOQZCSMQAXDJ-UHFFFAOYSA-N
XLogP5.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165
2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066450
N-[4-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidine-1-carbonyl)phenyl]-4-fluorobenzamide
CID 4209218
4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 4018717
2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066472
2,6-dimethoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066476
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylsulfanylacetamide
CID 1066469
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
5-[(4-bromobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807368
N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide
CID 4645895
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide
CID 1066466

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide (CID 1066436) is N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide is CC1CCN(C(=O)c2cc(NC(=O)c3ccccc3)ccc2N2CCC(C)CC2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is YVEOQZCSMQAXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19-10-14-28(15-11-19)24-9-8-22(27-25(30)21-6-4-3-5-7-21)18-23(24)26(31)29-16-12-20(2)13-17-29/h3-9,18-20H,10-17H2,1-2H3,(H,27,30).
What are the key properties of N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide?
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 419.57 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1066436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).