N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide

C24H30N4O3 — CID 60591166

IUPACN-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C24H30N4O3/c1-17-7-6-12-28(16-17)23(30)20-10-11-21(18(2)13-20)25-15-22(29)27-24(31)26-14-19-8-4-3-5-9-19/h3-5,8-11,13,17,25H,6-7,12,14-16H2,1-2H3,(H2,26,27,29,31)
InChIKeyKGSIAFPXMXPUEP-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.31
Rot. Bonds6

About N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide

N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide (PubChem CID 60591166) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide
PubChem CID60591166
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C24H30N4O3/c1-17-7-6-12-28(16-17)23(30)20-10-11-21(18(2)13-20)25-15-22(29)27-24(31)26-14-19-8-4-3-5-9-19/h3-5,8-11,13,17,25H,6-7,12,14-16H2,1-2H3,(H2,26,27,29,31)
InChIKeyKGSIAFPXMXPUEP-UHFFFAOYSA-N
XLogP3.31
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 51094040
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 63213608
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea
CID 95266911
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 71884742
[4-(benzylamino)-3-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 68579354
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109046805
3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119753451
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936
1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide
CID 126768610

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide (CID 60591166) is N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide is Cc1cc(C(=O)N2CCCC(C)C2)ccc1NCC(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide?
The InChIKey is KGSIAFPXMXPUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17-7-6-12-28(16-17)23(30)20-10-11-21(18(2)13-20)25-15-22(29)27-24(31)26-14-19-8-4-3-5-9-19/h3-5,8-11,13,17,25H,6-7,12,14-16H2,1-2H3,(H2,26,27,29,31).
What are the key properties of N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide?
N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide has a molecular weight of 422.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 60591166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).