N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide

C20H22FN3O3 — CID 51118897

IUPACN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Cc1ccccc1)Nc1cc(NC(=O)N2CCCC(O)C2)ccc1F
InChIInChI=1S/C20H22FN3O3/c21-17-9-8-15(22-20(27)24-10-4-7-16(25)13-24)12-18(17)23-19(26)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,16,25H,4,7,10-11,13H2,(H,22,27)(H,23,26)
InChIKeyRHLIJFYTWPBHGM-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.00
Rot. Bonds4

About N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide

N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 51118897) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID51118897
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Cc1ccccc1)Nc1cc(NC(=O)N2CCCC(O)C2)ccc1F
InChIInChI=1S/C20H22FN3O3/c21-17-9-8-15(22-20(27)24-10-4-7-16(25)13-24)12-18(17)23-19(26)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,16,25H,4,7,10-11,13H2,(H,22,27)(H,23,26)
InChIKeyRHLIJFYTWPBHGM-UHFFFAOYSA-N
XLogP3.00
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345639
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]-2-phenylacetamide
CID 75502768
N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide
CID 60536969
3-hydroxy-N-[3-(2-phenylethoxy)phenyl]piperidine-1-carboxamide
CID 110896856
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119289646
N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536696

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide (CID 51118897) is N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide is O=C(Cc1ccccc1)Nc1cc(NC(=O)N2CCCC(O)C2)ccc1F.
What is the InChIKey of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is RHLIJFYTWPBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-17-9-8-15(22-20(27)24-10-4-7-16(25)13-24)12-18(17)23-19(26)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,16,25H,4,7,10-11,13H2,(H,22,27)(H,23,26).
What are the key properties of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide?
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 51118897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).