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

C28H36N4O3 — CID 54841463

IUPAC2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)CNc3cccc(C(=O)N4CCCCCC4)c3)cc2)CC1
InChIInChI=1S/C28H36N4O3/c1-21-13-17-32(18-14-21)27(34)22-9-11-24(12-10-22)30-26(33)20-29-25-8-6-7-23(19-25)28(35)31-15-4-2-3-5-16-31/h6-12,19,21,29H,2-5,13-18,20H2,1H3,(H,30,33)
InChIKeyIPHNUGTVEAQBRW-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.63
Rot. Bonds6

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

2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54841463) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID54841463
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)CNc3cccc(C(=O)N4CCCCCC4)c3)cc2)CC1
InChIInChI=1S/C28H36N4O3/c1-21-13-17-32(18-14-21)27(34)22-9-11-24(12-10-22)30-26(33)20-29-25-8-6-7-23(19-25)28(35)31-15-4-2-3-5-16-31/h6-12,19,21,29H,2-5,13-18,20H2,1H3,(H,30,33)
InChIKeyIPHNUGTVEAQBRW-UHFFFAOYSA-N
XLogP4.63
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
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
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone
CID 54843401
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 54841463) is 2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CC1CCN(C(=O)c2ccc(NC(=O)CNc3cccc(C(=O)N4CCCCCC4)c3)cc2)CC1.
What is the InChIKey of 2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is IPHNUGTVEAQBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-21-13-17-32(18-14-21)27(34)22-9-11-24(12-10-22)30-26(33)20-29-25-8-6-7-23(19-25)28(35)31-15-4-2-3-5-16-31/h6-12,19,21,29H,2-5,13-18,20H2,1H3,(H,30,33).
What are the key properties of 2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 476.62 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54841463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).