N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide

C20H26ClF3N2O3 — CID 166767410

IUPACN-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide
SMILESCCC(=O)NCC(CC)C(=O)N1CCC(c2cccc(OC(F)(F)F)c2Cl)CC1
InChIInChI=1S/C20H26ClF3N2O3/c1-3-13(12-25-17(27)4-2)19(28)26-10-8-14(9-11-26)15-6-5-7-16(18(15)21)29-20(22,23)24/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,25,27)
InChIKeyPKICFCUZUQLXJN-UHFFFAOYSA-N
MW434.89 g/mol
LogP4.50
Rot. Bonds7

About N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide

N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide (PubChem CID 166767410) has the molecular formula C20H26ClF3N2O3 and a molecular weight of 434.89 g/mol. Its IUPAC name is N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide
PubChem CID166767410
Molecular FormulaC20H26ClF3N2O3
Molecular Weight434.89 g/mol
Exact Mass434.16
IUPAC NameN-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide
SMILESCCC(=O)NCC(CC)C(=O)N1CCC(c2cccc(OC(F)(F)F)c2Cl)CC1
InChIInChI=1S/C20H26ClF3N2O3/c1-3-13(12-25-17(27)4-2)19(28)26-10-8-14(9-11-26)15-6-5-7-16(18(15)21)29-20(22,23)24/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,25,27)
InChIKeyPKICFCUZUQLXJN-UHFFFAOYSA-N
XLogP4.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide?
The IUPAC name of N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide (CID 166767410) is N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide.
What is the SMILES notation for N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide?
The canonical SMILES for N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide is CCC(=O)NCC(CC)C(=O)N1CCC(c2cccc(OC(F)(F)F)c2Cl)CC1.
What is the InChIKey of N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide?
The InChIKey is PKICFCUZUQLXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClF3N2O3/c1-3-13(12-25-17(27)4-2)19(28)26-10-8-14(9-11-26)15-6-5-7-16(18(15)21)29-20(22,23)24/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,25,27).
What are the key properties of N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide?
N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide has a molecular weight of 434.89 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide is sourced from PubChem (CID 166767410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).