2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C25H31ClN4O3 — CID 60537314

IUPAC2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CNc2cc(Cl)ccc2C(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C25H31ClN4O3/c1-16-11-17(2)24(18(3)12-16)29-23(32)15-28-22(31)14-27-21-13-19(26)7-8-20(21)25(33)30-9-5-4-6-10-30/h7-8,11-13,27H,4-6,9-10,14-15H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyBQVLPYDAGBKFOI-UHFFFAOYSA-N
MW471.00 g/mol
LogP4.06
Rot. Bonds7

About 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 60537314) has the molecular formula C25H31ClN4O3 and a molecular weight of 471.00 g/mol. Its IUPAC name is 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID60537314
Molecular FormulaC25H31ClN4O3
Molecular Weight471.00 g/mol
Exact Mass470.21
IUPAC Name2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CNc2cc(Cl)ccc2C(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C25H31ClN4O3/c1-16-11-17(2)24(18(3)12-16)29-23(32)15-28-22(31)14-27-21-13-19(26)7-8-20(21)25(33)30-9-5-4-6-10-30/h7-8,11-13,27H,4-6,9-10,14-15H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyBQVLPYDAGBKFOI-UHFFFAOYSA-N
XLogP4.06
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide with MolForge

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Related Compounds

2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide
CID 55898218
N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 55766563
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 55896895
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60536259
4-[[2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 55896896
N-(3-chloro-4-methoxyphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 60536287
[4-chloro-2-[(3-methylphenyl)methylamino]phenyl]-piperidin-1-ylmethanone
CID 52703546
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 55777037
N-[3-[[[2-[5-chloro-2-(piperidine-1-carbonyl)anilino]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 60537264
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
N-(5-chloro-2-methylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841442
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 60537314) is 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CNC(=O)CNc2cc(Cl)ccc2C(=O)N2CCCCC2)c(C)c1.
What is the InChIKey of 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is BQVLPYDAGBKFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O3/c1-16-11-17(2)24(18(3)12-16)29-23(32)15-28-22(31)14-27-21-13-19(26)7-8-20(21)25(33)30-9-5-4-6-10-30/h7-8,11-13,27H,4-6,9-10,14-15H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 471.00 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 60537314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).