(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

C17H20F2N4O — CID 97319285

IUPAC(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCCc1cc(F)ccc1F)N1CCC[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C17H20F2N4O/c18-14-3-4-15(19)12(10-14)5-6-22-17(24)23-9-1-2-13(11-23)16-20-7-8-21-16/h3-4,7-8,10,13H,1-2,5-6,9,11H2,(H,20,21)(H,22,24)/t13-/m1/s1
InChIKeyRPHFHSKFVQKMMJ-CYBMUJFWSA-N
MW334.37 g/mol
LogP2.82
Rot. Bonds4

About (3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 97319285) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is (3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID97319285
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCCc1cc(F)ccc1F)N1CCC[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C17H20F2N4O/c18-14-3-4-15(19)12(10-14)5-6-22-17(24)23-9-1-2-13(11-23)16-20-7-8-21-16/h3-4,7-8,10,13H,1-2,5-6,9,11H2,(H,20,21)(H,22,24)/t13-/m1/s1
InChIKeyRPHFHSKFVQKMMJ-CYBMUJFWSA-N
XLogP2.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 146123480
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 70755119
(3R)-3-(1H-imidazol-2-yl)-N-[3-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 126437006
(3S)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 125447763
N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 122562007
3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
CID 136553406
formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 154907745
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97318687
N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 136513087
(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide
CID 126451352
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 97319285) is (3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is O=C(NCCc1cc(F)ccc1F)N1CCC[C@@H](c2ncc[nH]2)C1.
What is the InChIKey of (3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is RPHFHSKFVQKMMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20F2N4O/c18-14-3-4-15(19)12(10-14)5-6-22-17(24)23-9-1-2-13(11-23)16-20-7-8-21-16/h3-4,7-8,10,13H,1-2,5-6,9,11H2,(H,20,21)(H,22,24)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97319285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).