N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C27H33N3O4 — CID 55895003

IUPACN-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C27H33N3O4/c1-17-11-18(2)15-30(14-17)27(33)21-8-7-19(3)24(12-21)29-25(31)16-34-23-6-4-5-22(13-23)28-26(32)20-9-10-20/h4-8,12-13,17-18,20H,9-11,14-16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyQODZQSRNDWHEAK-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.48
Rot. Bonds7

About N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55895003) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55895003
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C27H33N3O4/c1-17-11-18(2)15-30(14-17)27(33)21-8-7-19(3)24(12-21)29-25(31)16-34-23-6-4-5-22(13-23)28-26(32)20-9-10-20/h4-8,12-13,17-18,20H,9-11,14-16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyQODZQSRNDWHEAK-UHFFFAOYSA-N
XLogP4.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
CID 55895000
N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
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N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55630475
N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39571943
N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 60562038
N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55639706
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
N-[3-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55677177
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-3-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 55895003) is N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)COc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is QODZQSRNDWHEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-17-11-18(2)15-30(14-17)27(33)21-8-7-19(3)24(12-21)29-25(31)16-34-23-6-4-5-22(13-23)28-26(32)20-9-10-20/h4-8,12-13,17-18,20H,9-11,14-16H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 463.58 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55895003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).