4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide

C16H19F2N3O2 — CID 94871502

IUPAC4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H19F2N3O2/c1-11(13-2-4-14(5-3-13)23-15(17)18)20-16(22)21-8-6-12(10-19)7-9-21/h2-5,11-12,15H,6-9H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyDHBDRWBFRZWHGW-LLVKDONJSA-N
MW323.34 g/mol
LogP3.29
Rot. Bonds4

About 4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide

4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 94871502) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID94871502
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H19F2N3O2/c1-11(13-2-4-14(5-3-13)23-15(17)18)20-16(22)21-8-6-12(10-19)7-9-21/h2-5,11-12,15H,6-9H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyDHBDRWBFRZWHGW-LLVKDONJSA-N
XLogP3.29
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide
CID 95154756
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide
CID 51091257
4-cyano-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]piperidine-1-carboxamide
CID 95284112
4-cyano-N-[(1S)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 99700467
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95762713
4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
2-(cyclopropylmethylamino)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119720123
1-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 86922947
4-cyano-N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]piperidine-1-carboxamide
CID 94800670
2-cyclopentyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 134002861
N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide
CID 84599160
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide (CID 94871502) is 4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is DHBDRWBFRZWHGW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-11(13-2-4-14(5-3-13)23-15(17)18)20-16(22)21-8-6-12(10-19)7-9-21/h2-5,11-12,15H,6-9H2,1H3,(H,20,22)/t11-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide?
4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 94871502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).