4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide

C27H35N3O2 — CID 46038111

IUPAC4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
SMILESCCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C27H35N3O2/c1-3-21-8-10-22(11-9-21)26(31)28-23-14-18-29(19-15-23)25-7-5-4-6-24(25)27(32)30-16-12-20(2)13-17-30/h4-11,20,23H,3,12-19H2,1-2H3,(H,28,31)
InChIKeyYDNIEDMKJXJNCT-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.52
Rot. Bonds5

About 4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide

4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide (PubChem CID 46038111) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
PubChem CID46038111
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
SMILESCCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C27H35N3O2/c1-3-21-8-10-22(11-9-21)26(31)28-23-14-18-29(19-15-23)25-7-5-4-6-24(25)27(32)30-16-12-20(2)13-17-30/h4-11,20,23H,3,12-19H2,1-2H3,(H,28,31)
InChIKeyYDNIEDMKJXJNCT-UHFFFAOYSA-N
XLogP4.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46156215
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide
CID 42848245
(E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 42682841
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide
CID 46037981
N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide
CID 46038397
N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide
CID 70653799
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
CID 24719023
1-ethyl-3-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]urea
CID 46038614
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide (CID 46038111) is 4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide is CCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCC(C)CC3)CC2)cc1.
What is the InChIKey of 4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The InChIKey is YDNIEDMKJXJNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-3-21-8-10-22(11-9-21)26(31)28-23-14-18-29(19-15-23)25-7-5-4-6-24(25)27(32)30-16-12-20(2)13-17-30/h4-11,20,23H,3,12-19H2,1-2H3,(H,28,31).
What are the key properties of 4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide has a molecular weight of 433.60 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46038111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).