N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide

C27H31F3N2O4 — CID 171685723

IUPACN-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCOCC1(C(=O)N2CCC(c3ccc(NC(=O)CCc4ccc(OC(F)(F)F)cc4)cc3)CC2)CC1
InChIInChI=1S/C27H31F3N2O4/c1-35-18-26(14-15-26)25(34)32-16-12-21(13-17-32)20-5-7-22(8-6-20)31-24(33)11-4-19-2-9-23(10-3-19)36-27(28,29)30/h2-3,5-10,21H,4,11-18H2,1H3,(H,31,33)
InChIKeyQAWSHZUFGUTXMO-UHFFFAOYSA-N
MW504.55 g/mol
LogP5.29
Rot. Bonds9

About N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide

N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 171685723) has the molecular formula C27H31F3N2O4 and a molecular weight of 504.55 g/mol. Its IUPAC name is N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID171685723
Molecular FormulaC27H31F3N2O4
Molecular Weight504.55 g/mol
Exact Mass504.22
IUPAC NameN-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCOCC1(C(=O)N2CCC(c3ccc(NC(=O)CCc4ccc(OC(F)(F)F)cc4)cc3)CC2)CC1
InChIInChI=1S/C27H31F3N2O4/c1-35-18-26(14-15-26)25(34)32-16-12-21(13-17-32)20-5-7-22(8-6-20)31-24(33)11-4-19-2-9-23(10-3-19)36-27(28,29)30/h2-3,5-10,21H,4,11-18H2,1H3,(H,31,33)
InChIKeyQAWSHZUFGUTXMO-UHFFFAOYSA-N
XLogP5.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide with MolForge

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Related Compounds

2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide
CID 171698789
3-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55512022
4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 8777313
2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7643070
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 119647269
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
4-[2-(4-cyclohexylphenyl)-3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]benzoic acid
CID 23508825
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
ethyl 4-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26289068
2-[4-(2-methoxyacetyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020903
1-[4-(trifluoromethoxy)phenyl]-3-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]urea
CID 118409098
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide (CID 171685723) is N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide is COCC1(C(=O)N2CCC(c3ccc(NC(=O)CCc4ccc(OC(F)(F)F)cc4)cc3)CC2)CC1.
What is the InChIKey of N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is QAWSHZUFGUTXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N2O4/c1-35-18-26(14-15-26)25(34)32-16-12-21(13-17-32)20-5-7-22(8-6-20)31-24(33)11-4-19-2-9-23(10-3-19)36-27(28,29)30/h2-3,5-10,21H,4,11-18H2,1H3,(H,31,33).
What are the key properties of N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 504.55 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 171685723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).