[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C23H35N3O2 — CID 44540674

IUPAC[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(OC3CC(N4CCCCC4)C3)cc2)CC1
InChIInChI=1S/C23H35N3O2/c1-18(2)24-12-14-26(15-13-24)23(27)19-6-8-21(9-7-19)28-22-16-20(17-22)25-10-4-3-5-11-25/h6-9,18,20,22H,3-5,10-17H2,1-2H3
InChIKeyCHCZXFZTICVLLU-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.25
Rot. Bonds5

About [4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 44540674) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is [4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID44540674
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(OC3CC(N4CCCCC4)C3)cc2)CC1
InChIInChI=1S/C23H35N3O2/c1-18(2)24-12-14-26(15-13-24)23(27)19-6-8-21(9-7-19)28-22-16-20(17-22)25-10-4-3-5-11-25/h6-9,18,20,22H,3-5,10-17H2,1-2H3
InChIKeyCHCZXFZTICVLLU-UHFFFAOYSA-N
XLogP3.25
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69067801
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone
CID 26328776
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
(4-chlorophenyl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 90085028
1-[3-(4-bromophenoxy)cyclobutyl]piperidine;(3-piperidin-1-ylcyclobutyl) 4-bromobenzenesulfonate;4-(3-piperidin-1-ylcyclobutyl)oxybenzoic acid;1-[4-(3-piperidin-1-ylcyclobutyl)oxybenzoyl]piperidine-4-carboxamide
CID 160576915
piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone
CID 42592489
[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 4-(diaminomethylideneamino)benzoate
CID 10549475
4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 21025530
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(1,3-dithiolan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 46602256

Frequently Asked Questions

What is the IUPAC name of [4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 44540674) is [4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(OC3CC(N4CCCCC4)C3)cc2)CC1.
What is the InChIKey of [4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is CHCZXFZTICVLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-18(2)24-12-14-26(15-13-24)23(27)19-6-8-21(9-7-19)28-22-16-20(17-22)25-10-4-3-5-11-25/h6-9,18,20,22H,3-5,10-17H2,1-2H3.
What are the key properties of [4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 385.55 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 44540674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).