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

C27H34N4O3 — CID 54841357

IUPACN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3ccc(C(=O)N4CCCCC4)cc3)c2)CC1
InChIInChI=1S/C27H34N4O3/c1-20-12-16-31(17-13-20)27(34)22-6-5-7-24(18-22)29-25(32)19-28-23-10-8-21(9-11-23)26(33)30-14-3-2-4-15-30/h5-11,18,20,28H,2-4,12-17,19H2,1H3,(H,29,32)
InChIKeyJWKZQWYISDQUCK-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.24
Rot. Bonds6

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

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide (PubChem CID 54841357) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
PubChem CID54841357
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3ccc(C(=O)N4CCCCC4)cc3)c2)CC1
InChIInChI=1S/C27H34N4O3/c1-20-12-16-31(17-13-20)27(34)22-6-5-7-24(18-22)29-25(32)19-28-23-10-8-21(9-11-23)26(33)30-14-3-2-4-15-30/h5-11,18,20,28H,2-4,12-17,19H2,1H3,(H,29,32)
InChIKeyJWKZQWYISDQUCK-UHFFFAOYSA-N
XLogP4.24
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.24
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-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834474
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-bromoanilino)acetamide
CID 54810997
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036
N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54840746
2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54840399

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide (CID 54841357) is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide is CC1CCN(C(=O)c2cccc(NC(=O)CNc3ccc(C(=O)N4CCCCC4)cc3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The InChIKey is JWKZQWYISDQUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-20-12-16-31(17-13-20)27(34)22-6-5-7-24(18-22)29-25(32)19-28-23-10-8-21(9-11-23)26(33)30-14-3-2-4-15-30/h5-11,18,20,28H,2-4,12-17,19H2,1H3,(H,29,32).
What are the key properties of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide has a molecular weight of 462.59 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54841357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).