azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone

C26H38N2O2 — CID 55607122

IUPACazepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone
SMILESCC(C)(C)c1ccc(C2(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)CC2)cc1
InChIInChI=1S/C26H38N2O2/c1-25(2,3)21-8-10-22(11-9-21)26(14-15-26)24(30)28-18-12-20(13-19-28)23(29)27-16-6-4-5-7-17-27/h8-11,20H,4-7,12-19H2,1-3H3
InChIKeyJGQSFUNWOZUGRP-UHFFFAOYSA-N
MW410.60 g/mol
LogP4.66
Rot. Bonds3

About azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone

azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone (PubChem CID 55607122) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone
PubChem CID55607122
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Nameazepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone
SMILESCC(C)(C)c1ccc(C2(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)CC2)cc1
InChIInChI=1S/C26H38N2O2/c1-25(2,3)21-8-10-22(11-9-21)26(14-15-26)24(30)28-18-12-20(13-19-28)23(29)27-16-6-4-5-7-17-27/h8-11,20H,4-7,12-19H2,1-3H3
InChIKeyJGQSFUNWOZUGRP-UHFFFAOYSA-N
XLogP4.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 95580273
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 75369417
5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201704
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 78778814
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone
CID 55997592
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 22241011
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide
CID 53110570
4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
CID 36802749

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone (CID 55607122) is azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone is CC(C)(C)c1ccc(C2(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)CC2)cc1.
What is the InChIKey of azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone?
The InChIKey is JGQSFUNWOZUGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-25(2,3)21-8-10-22(11-9-21)26(14-15-26)24(30)28-18-12-20(13-19-28)23(29)27-16-6-4-5-7-17-27/h8-11,20H,4-7,12-19H2,1-3H3.
What are the key properties of azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone?
azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone has a molecular weight of 410.60 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 55607122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).