N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide

C25H31N3O2 — CID 1066165

IUPACN-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)c3ccccc3)ccc2N2CCCCC2)CC1
InChIInChI=1S/C25H31N3O2/c1-19-12-16-28(17-13-19)25(30)22-18-21(26-24(29)20-8-4-2-5-9-20)10-11-23(22)27-14-6-3-7-15-27/h2,4-5,8-11,18-19H,3,6-7,12-17H2,1H3,(H,26,29)
InChIKeyNEIWNFJLMMEIRI-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.80
Rot. Bonds4

About N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide

N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide (PubChem CID 1066165) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
PubChem CID1066165
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)c3ccccc3)ccc2N2CCCCC2)CC1
InChIInChI=1S/C25H31N3O2/c1-19-12-16-28(17-13-19)25(30)22-18-21(26-24(29)20-8-4-2-5-9-20)10-11-23(22)27-14-6-3-7-15-27/h2,4-5,8-11,18-19H,3,6-7,12-17H2,1H3,(H,26,29)
InChIKeyNEIWNFJLMMEIRI-UHFFFAOYSA-N
XLogP4.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.80
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-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 4018717
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]-2-phenylsulfanylacetamide
CID 1066202
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310
2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066450
N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223
N-[4-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidine-1-carbonyl)phenyl]-4-fluorobenzamide
CID 4209218
4-[4-benzamido-2-(piperidine-1-carbonyl)phenyl]-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 42678938
5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064478
5-benzamido-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083660
2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066472

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide?
The IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide (CID 1066165) is N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide.
What is the SMILES notation for N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide?
The canonical SMILES for N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide is CC1CCN(C(=O)c2cc(NC(=O)c3ccccc3)ccc2N2CCCCC2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide?
The InChIKey is NEIWNFJLMMEIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-19-12-16-28(17-13-19)25(30)22-18-21(26-24(29)20-8-4-2-5-9-20)10-11-23(22)27-14-6-3-7-15-27/h2,4-5,8-11,18-19H,3,6-7,12-17H2,1H3,(H,26,29).
What are the key properties of N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide?
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide has a molecular weight of 405.54 g/mol, XLogP of 4.80, 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-piperidin-1-ylphenyl]benzamide is sourced from PubChem (CID 1066165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).