(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide

C19H28FN3O2 — CID 120634306

IUPAC(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC(c2cccc(F)c2)N2CCOCC2)CCN1
InChIInChI=1S/C19H28FN3O2/c1-14-11-16(5-6-21-14)19(24)22-13-18(23-7-9-25-10-8-23)15-3-2-4-17(20)12-15/h2-4,12,14,16,18,21H,5-11,13H2,1H3,(H,22,24)/t14-,16-,18?/m0/s1
InChIKeyDOHOIZPVIWDNMB-CCLCZBONSA-N
MW349.45 g/mol
LogP1.70
Rot. Bonds5

About (2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120634306) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is (2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120634306
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC(c2cccc(F)c2)N2CCOCC2)CCN1
InChIInChI=1S/C19H28FN3O2/c1-14-11-16(5-6-21-14)19(24)22-13-18(23-7-9-25-10-8-23)15-3-2-4-17(20)12-15/h2-4,12,14,16,18,21H,5-11,13H2,1H3,(H,22,24)/t14-,16-,18?/m0/s1
InChIKeyDOHOIZPVIWDNMB-CCLCZBONSA-N
XLogP1.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634641
(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120631423
(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120631213
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride
CID 119866007
(2S,4S)-2-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;hydrochloride
CID 120634783
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
CID 60592399
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119865999
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119849719
(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120632113
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 94815665
1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea
CID 99702436

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide (CID 120634306) is (2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCC(c2cccc(F)c2)N2CCOCC2)CCN1.
What is the InChIKey of (2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is DOHOIZPVIWDNMB-CCLCZBONSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-14-11-16(5-6-21-14)19(24)22-13-18(23-7-9-25-10-8-23)15-3-2-4-17(20)12-15/h2-4,12,14,16,18,21H,5-11,13H2,1H3,(H,22,24)/t14-,16-,18?/m0/s1.
What are the key properties of (2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120634306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).