2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide

C26H34N2O2 — CID 71576220

IUPAC2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)c1ccc(C2CCN(c3ccc(OC4CCC4)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-3-27-26(29)19(2)20-7-9-21(10-8-20)22-15-17-28(18-16-22)23-11-13-25(14-12-23)30-24-5-4-6-24/h7-14,19,22,24H,3-6,15-18H2,1-2H3,(H,27,29)
InChIKeyIKBCVXBZNDAPRQ-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.24
Rot. Bonds7

About 2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide

2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide (PubChem CID 71576220) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide
PubChem CID71576220
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)c1ccc(C2CCN(c3ccc(OC4CCC4)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-3-27-26(29)19(2)20-7-9-21(10-8-20)22-15-17-28(18-16-22)23-11-13-25(14-12-23)30-24-5-4-6-24/h7-14,19,22,24H,3-6,15-18H2,1-2H3,(H,27,29)
InChIKeyIKBCVXBZNDAPRQ-UHFFFAOYSA-N
XLogP5.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 123697575
3-[(1S)-1-[4-[4-(4-cyclobutyloxyphenyl)piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea
CID 71616118
2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide
CID 71566718
2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 123251215
2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]hexan-3-one
CID 153105171
N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide
CID 71576222
N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide
CID 123175633
2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide
CID 67970711
3-[(1S)-1-[4-[4-[4-(cyclopropylmethoxy)phenyl]piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea
CID 71616117
4-[4-[1-(4-cyclopentyloxyphenyl)azetidin-3-yl]oxyphenyl]pentan-2-one
CID 158241695
2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid
CID 154252055
(3R)-3-[4-[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]oxyphenyl]-N-ethylbutanamide
CID 157122584

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide?
The IUPAC name of 2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide (CID 71576220) is 2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide?
The canonical SMILES for 2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide is CCNC(=O)C(C)c1ccc(C2CCN(c3ccc(OC4CCC4)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide?
The InChIKey is IKBCVXBZNDAPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-3-27-26(29)19(2)20-7-9-21(10-8-20)22-15-17-28(18-16-22)23-11-13-25(14-12-23)30-24-5-4-6-24/h7-14,19,22,24H,3-6,15-18H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide?
2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide has a molecular weight of 406.57 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide is sourced from PubChem (CID 71576220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).