azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone

C22H32N2O2 — CID 55408103

IUPACazepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1
InChIInChI=1S/C22H32N2O2/c1-17(2)18-7-9-19(10-8-18)21(25)24-15-11-20(12-16-24)22(26)23-13-5-3-4-6-14-23/h7-10,17,20H,3-6,11-16H2,1-2H3
InChIKeyBQXXIIMXOXIOTB-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.06
Rot. Bonds3

About azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone

azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone (PubChem CID 55408103) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
PubChem CID55408103
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Nameazepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1
InChIInChI=1S/C22H32N2O2/c1-17(2)18-7-9-19(10-8-18)21(25)24-15-11-20(12-16-24)22(26)23-13-5-3-4-6-14-23/h7-10,17,20H,3-6,11-16H2,1-2H3
InChIKeyBQXXIIMXOXIOTB-UHFFFAOYSA-N
XLogP4.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 130315888
N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 55683412
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
CID 36801576
azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
CID 134029878
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006809
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 112767085
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone (CID 55408103) is azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone is CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1.
What is the InChIKey of azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is BQXXIIMXOXIOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17(2)18-7-9-19(10-8-18)21(25)24-15-11-20(12-16-24)22(26)23-13-5-3-4-6-14-23/h7-10,17,20H,3-6,11-16H2,1-2H3.
What are the key properties of azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 356.51 g/mol, XLogP of 4.06, 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-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55408103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).