1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide

C19H26FN3O4 — CID 91772934

IUPAC1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)CC1
InChIInChI=1S/C19H26FN3O4/c20-14-2-1-3-15(10-14)27-17-6-9-26-12-16(17)22-19(25)13-4-7-23(8-5-13)11-18(21)24/h1-3,10,13,16-17H,4-9,11-12H2,(H2,21,24)(H,22,25)/t16-,17+/m1/s1
InChIKeyKXFPADMJDXOLJG-SJORKVTESA-N
MW379.43 g/mol
LogP0.68
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide (PubChem CID 91772934) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide
PubChem CID91772934
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)CC1
InChIInChI=1S/C19H26FN3O4/c20-14-2-1-3-15(10-14)27-17-6-9-26-12-16(17)22-19(25)13-4-7-23(8-5-13)11-18(21)24/h1-3,10,13,16-17H,4-9,11-12H2,(H2,21,24)(H,22,25)/t16-,17+/m1/s1
InChIKeyKXFPADMJDXOLJG-SJORKVTESA-N
XLogP0.68
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
CID 91796753
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91794535
2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91782920
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
CID 91779628
2-ethyl-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]butanamide
CID 91792235
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
1-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-propylurea
CID 91774796
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91769787
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide
CID 91786162
6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91797334

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide (CID 91772934) is 1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide is NC(=O)CN1CCC(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide?
The InChIKey is KXFPADMJDXOLJG-SJORKVTESA-N. The full InChI is InChI=1S/C19H26FN3O4/c20-14-2-1-3-15(10-14)27-17-6-9-26-12-16(17)22-19(25)13-4-7-23(8-5-13)11-18(21)24/h1-3,10,13,16-17H,4-9,11-12H2,(H2,21,24)(H,22,25)/t16-,17+/m1/s1.
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide has a molecular weight of 379.43 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91772934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).