N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

C26H32N4O3 — CID 54841292

IUPACN-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)CNc3cccc(C(=O)N4CCCC4)c3)cc2)CC1
InChIInChI=1S/C26H32N4O3/c1-19-11-15-30(16-12-19)25(32)20-7-9-22(10-8-20)28-24(31)18-27-23-6-4-5-21(17-23)26(33)29-13-2-3-14-29/h4-10,17,19,27H,2-3,11-16,18H2,1H3,(H,28,31)
InChIKeyZHFQSNBXVSVKLM-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.85
Rot. Bonds6

About N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54841292) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54841292
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)CNc3cccc(C(=O)N4CCCC4)c3)cc2)CC1
InChIInChI=1S/C26H32N4O3/c1-19-11-15-30(16-12-19)25(32)20-7-9-22(10-8-20)28-24(31)18-27-23-6-4-5-21(17-23)26(33)29-13-2-3-14-29/h4-10,17,19,27H,2-3,11-16,18H2,1H3,(H,28,31)
InChIKeyZHFQSNBXVSVKLM-UHFFFAOYSA-N
XLogP3.85
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54840399
N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843069
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
3-methyl-N-[4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54843132
N-(4-ethoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843517
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54841292) is N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is CC1CCN(C(=O)c2ccc(NC(=O)CNc3cccc(C(=O)N4CCCC4)c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is ZHFQSNBXVSVKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19-11-15-30(16-12-19)25(32)20-7-9-22(10-8-20)28-24(31)18-27-23-6-4-5-21(17-23)26(33)29-13-2-3-14-29/h4-10,17,19,27H,2-3,11-16,18H2,1H3,(H,28,31).
What are the key properties of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 448.57 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54841292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).