1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide

C23H26F2N2O3 — CID 55385035

IUPAC1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc(OC(F)F)cc2)(c2ccccc2)CC1
InChIInChI=1S/C23H26F2N2O3/c1-17(28)27-15-12-23(13-16-27,19-5-3-2-4-6-19)21(29)26-14-11-18-7-9-20(10-8-18)30-22(24)25/h2-10,22H,11-16H2,1H3,(H,26,29)
InChIKeySRXDZFNQEMARBB-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.53
Rot. Bonds7

About 1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide

1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 55385035) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide
PubChem CID55385035
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc(OC(F)F)cc2)(c2ccccc2)CC1
InChIInChI=1S/C23H26F2N2O3/c1-17(28)27-15-12-23(13-16-27,19-5-3-2-4-6-19)21(29)26-14-11-18-7-9-20(10-8-18)30-22(24)25/h2-10,22H,11-16H2,1H3,(H,26,29)
InChIKeySRXDZFNQEMARBB-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
CID 39950504
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527029
1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108974430
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202218
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 55912713
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35974572
1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 78852985
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide (CID 55385035) is 1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCc2ccc(OC(F)F)cc2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is SRXDZFNQEMARBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c1-17(28)27-15-12-23(13-16-27,19-5-3-2-4-6-19)21(29)26-14-11-18-7-9-20(10-8-18)30-22(24)25/h2-10,22H,11-16H2,1H3,(H,26,29).
What are the key properties of 1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55385035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).