N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide

C22H29Cl2N3O3 — CID 138626798

IUPACN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)C1CCC(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)CN1
InChIInChI=1S/C22H29Cl2N3O3/c1-13(2)18-6-3-14(8-25-18)20(29)27-22-10-21(11-22,12-22)26-19(28)9-30-15-4-5-16(23)17(24)7-15/h4-5,7,13-14,18,25H,3,6,8-12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyUXXNJIFGWXBTTP-UHFFFAOYSA-N
MW454.40 g/mol
LogP3.30
Rot. Bonds7

About N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide

N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide (PubChem CID 138626798) has the molecular formula C22H29Cl2N3O3 and a molecular weight of 454.40 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide
PubChem CID138626798
Molecular FormulaC22H29Cl2N3O3
Molecular Weight454.40 g/mol
Exact Mass453.16
IUPAC NameN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)C1CCC(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)CN1
InChIInChI=1S/C22H29Cl2N3O3/c1-13(2)18-6-3-14(8-25-18)20(29)27-22-10-21(11-22,12-22)26-19(28)9-30-15-4-5-16(23)17(24)7-15/h4-5,7,13-14,18,25H,3,6,8-12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyUXXNJIFGWXBTTP-UHFFFAOYSA-N
XLogP3.30
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

4-cycloheptyl-N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]piperidine-3-carboxamide
CID 138626580
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-5-propylpiperidine-3-carboxamide
CID 142586404
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(hydroxymethyl)piperidine-4-carboxamide
CID 138626710
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-fluoropiperidine-2-carboxamide
CID 138626964
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide
CID 142586237
(2S)-N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6,7-difluoro-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155257050
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.2.2]octanyl]-5-ethylpiperazine-2-carboxamide
CID 142586222
2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 165089960
4-(acetamidomethyl)-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]piperidine-2-carboxamide
CID 142586348
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-fluorothiolane-2-carboxamide
CID 142586245
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,3,6-tetrahydropyridin-3-yl)acetamide
CID 138632171
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(1-methylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610679

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide (CID 138626798) is N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide is CC(C)C1CCC(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)CN1.
What is the InChIKey of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is UXXNJIFGWXBTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2N3O3/c1-13(2)18-6-3-14(8-25-18)20(29)27-22-10-21(11-22,12-22)26-19(28)9-30-15-4-5-16(23)17(24)7-15/h4-5,7,13-14,18,25H,3,6,8-12H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide?
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 454.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 138626798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).