N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide

C16H24FN3O2 — CID 122145910

IUPACN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide
SMILESCN(CCNC(=O)N1CCC(O)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FN3O2/c1-19(12-13-2-4-14(17)5-3-13)11-8-18-16(22)20-9-6-15(21)7-10-20/h2-5,15,21H,6-12H2,1H3,(H,18,22)
InChIKeySIVYUECKBDHBGQ-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.42
Rot. Bonds5

About N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide

N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 122145910) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID122145910
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide
SMILESCN(CCNC(=O)N1CCC(O)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FN3O2/c1-19(12-13-2-4-14(17)5-3-13)11-8-18-16(22)20-9-6-15(21)7-10-20/h2-5,15,21H,6-12H2,1H3,(H,18,22)
InChIKeySIVYUECKBDHBGQ-UHFFFAOYSA-N
XLogP1.42
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94577627
2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride
CID 119896383
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
CID 119896338
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
N-butyl-4-[(4-fluorophenyl)methyl-[2-[propyl(propylsulfonyl)amino]acetyl]amino]piperidine-1-carboxamide
CID 46108893
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113106114
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
CID 119896354
2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine
CID 111752418
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea
CID 154749821

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide (CID 122145910) is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide is CN(CCNC(=O)N1CCC(O)CC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is SIVYUECKBDHBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-19(12-13-2-4-14(17)5-3-13)11-8-18-16(22)20-9-6-15(21)7-10-20/h2-5,15,21H,6-12H2,1H3,(H,18,22).
What are the key properties of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide?
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 122145910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).