[4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone

C25H38N2O3 — CID 118163721

IUPAC[4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
SMILESCC(C)(O)c1ccc(C(=O)N2CCC(N3CCCC(COC4CCC4)C3)CC2)cc1
InChIInChI=1S/C25H38N2O3/c1-25(2,29)21-10-8-20(9-11-21)24(28)26-15-12-22(13-16-26)27-14-4-5-19(17-27)18-30-23-6-3-7-23/h8-11,19,22-23,29H,3-7,12-18H2,1-2H3
InChIKeyDIPNFQRHWBITQE-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.80
Rot. Bonds6

About [4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone

[4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone (PubChem CID 118163721) has the molecular formula C25H38N2O3 and a molecular weight of 414.59 g/mol. Its IUPAC name is [4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
PubChem CID118163721
Molecular FormulaC25H38N2O3
Molecular Weight414.59 g/mol
Exact Mass414.29
IUPAC Name[4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
SMILESCC(C)(O)c1ccc(C(=O)N2CCC(N3CCCC(COC4CCC4)C3)CC2)cc1
InChIInChI=1S/C25H38N2O3/c1-25(2,29)21-10-8-20(9-11-21)24(28)26-15-12-22(13-16-26)27-14-4-5-19(17-27)18-30-23-6-3-7-23/h8-11,19,22-23,29H,3-7,12-18H2,1-2H3
InChIKeyDIPNFQRHWBITQE-UHFFFAOYSA-N
XLogP3.80
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone with MolForge

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide
CID 118182112
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99932218
(4-tert-butylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 63393021
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 70770536
(3S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95527920
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 90483458
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881485
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
(4-fluoropiperidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
CID 143379605

Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone?
The IUPAC name of [4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone (CID 118163721) is [4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone.
What is the SMILES notation for [4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone?
The canonical SMILES for [4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone is CC(C)(O)c1ccc(C(=O)N2CCC(N3CCCC(COC4CCC4)C3)CC2)cc1.
What is the InChIKey of [4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone?
The InChIKey is DIPNFQRHWBITQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O3/c1-25(2,29)21-10-8-20(9-11-21)24(28)26-15-12-22(13-16-26)27-14-4-5-19(17-27)18-30-23-6-3-7-23/h8-11,19,22-23,29H,3-7,12-18H2,1-2H3.
What are the key properties of [4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone?
[4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone has a molecular weight of 414.59 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone is sourced from PubChem (CID 118163721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).