N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide

C24H31N3O2 — CID 54823206

IUPACN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3ccccc3C(C)C)c2)CC1
InChIInChI=1S/C24H31N3O2/c1-17(2)21-9-4-5-10-22(21)25-16-23(28)26-20-8-6-7-19(15-20)24(29)27-13-11-18(3)12-14-27/h4-10,15,17-18,25H,11-14,16H2,1-3H3,(H,26,28)
InChIKeyJNUIOAKHTSIRCT-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.73
Rot. Bonds6

About N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide (PubChem CID 54823206) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide
PubChem CID54823206
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3ccccc3C(C)C)c2)CC1
InChIInChI=1S/C24H31N3O2/c1-17(2)21-9-4-5-10-22(21)25-16-23(28)26-20-8-6-7-19(15-20)24(29)27-13-11-18(3)12-14-27/h4-10,15,17-18,25H,11-14,16H2,1-3H3,(H,26,28)
InChIKeyJNUIOAKHTSIRCT-UHFFFAOYSA-N
XLogP4.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
2-(2-bromoanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54816568
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036
2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813365
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
3-methyl-N-[4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54843132
N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843134
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide?
The IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide (CID 54823206) is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide?
The canonical SMILES for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide is CC1CCN(C(=O)c2cccc(NC(=O)CNc3ccccc3C(C)C)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide?
The InChIKey is JNUIOAKHTSIRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17(2)21-9-4-5-10-22(21)25-16-23(28)26-20-8-6-7-19(15-20)24(29)27-13-11-18(3)12-14-27/h4-10,15,17-18,25H,11-14,16H2,1-3H3,(H,26,28).
What are the key properties of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide?
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide has a molecular weight of 393.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 54823206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).