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

C25H30ClN3O2 — CID 4018717

IUPAC4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H30ClN3O2/c1-18-11-15-28(16-12-18)23-10-9-21(27-24(30)19-5-7-20(26)8-6-19)17-22(23)25(31)29-13-3-2-4-14-29/h5-10,17-18H,2-4,11-16H2,1H3,(H,27,30)
InChIKeyIVWJINUNCOBMPM-UHFFFAOYSA-N
MW439.99 g/mol
LogP5.45
Rot. Bonds4

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

4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 4018717) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID4018717
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H30ClN3O2/c1-18-11-15-28(16-12-18)23-10-9-21(27-24(30)19-5-7-20(26)8-6-19)17-22(23)25(31)29-13-3-2-4-14-29/h5-10,17-18H,2-4,11-16H2,1H3,(H,27,30)
InChIKeyIVWJINUNCOBMPM-UHFFFAOYSA-N
XLogP5.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.99
LogP ≤ 55.45
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
4-chloro-N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42672349
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
4-[4-[(4-chlorobenzoyl)amino]-2-(piperidine-1-carbonyl)phenyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42678890
2,2-dichloro-N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1054041
1,1-dimethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1054086
1-(2,6-dichlorophenyl)-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1054434
4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1054983
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223
1-tert-butyl-3-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]urea
CID 42751588
4-chloro-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 98338176
5-[(4-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064480

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide (CID 4018717) is 4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide is CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)N2CCCCC2)CC1.
What is the InChIKey of 4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is IVWJINUNCOBMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-18-11-15-28(16-12-18)23-10-9-21(27-24(30)19-5-7-20(26)8-6-19)17-22(23)25(31)29-13-3-2-4-14-29/h5-10,17-18H,2-4,11-16H2,1H3,(H,27,30).
What are the key properties of 4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 439.99 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 4018717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).