N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide

C17H24F2N2O3 — CID 99858566

IUPACN-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
SMILESC[C@H](O)C1CCN(C(=O)NCCc2ccccc2OC(F)F)CC1
InChIInChI=1S/C17H24F2N2O3/c1-12(22)13-7-10-21(11-8-13)17(23)20-9-6-14-4-2-3-5-15(14)24-16(18)19/h2-5,12-13,16,22H,6-11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyVHAQHEOWVSYIHK-LBPRGKRZSA-N
MW342.39 g/mol
LogP2.63
Rot. Bonds6

About N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide

N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide (PubChem CID 99858566) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
PubChem CID99858566
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC NameN-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
SMILESC[C@H](O)C1CCN(C(=O)NCCc2ccccc2OC(F)F)CC1
InChIInChI=1S/C17H24F2N2O3/c1-12(22)13-7-10-21(11-8-13)17(23)20-9-6-14-4-2-3-5-15(14)24-16(18)19/h2-5,12-13,16,22H,6-11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyVHAQHEOWVSYIHK-LBPRGKRZSA-N
XLogP2.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424799
N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788748
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
1-[2-(2-ethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000455
4-(1-hydroxyethyl)-N-(2-methyl-2-phenylpropyl)piperidine-1-carboxamide
CID 111438231
4-(1-hydroxyethyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438064
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea
CID 99858558
N-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895568
N-[2-(2-fluorophenyl)ethyl]-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109055
4-(1-hydroxyethyl)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 111438569
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide (CID 99858566) is N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide is C[C@H](O)C1CCN(C(=O)NCCc2ccccc2OC(F)F)CC1.
What is the InChIKey of N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The InChIKey is VHAQHEOWVSYIHK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-12(22)13-7-10-21(11-8-13)17(23)20-9-6-14-4-2-3-5-15(14)24-16(18)19/h2-5,12-13,16,22H,6-11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide is sourced from PubChem (CID 99858566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).