(3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C18H22FN5O4 — CID 91905822

IUPAC(3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCOCC(=O)N[C@@H]1CN(C(=O)Nc2ccccc2F)CC[C@@H]1c1nc(C)no1
InChIInChI=1S/C18H22FN5O4/c1-11-20-17(28-23-11)12-7-8-24(9-15(12)21-16(25)10-27-2)18(26)22-14-6-4-3-5-13(14)19/h3-6,12,15H,7-10H2,1-2H3,(H,21,25)(H,22,26)/t12-,15+/m0/s1
InChIKeyPHIIMKBVYFUUAD-SWLSCSKDSA-N
MW391.40 g/mol
LogP1.67
Rot. Bonds5

About (3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

(3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 91905822) has the molecular formula C18H22FN5O4 and a molecular weight of 391.40 g/mol. Its IUPAC name is (3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID91905822
Molecular FormulaC18H22FN5O4
Molecular Weight391.40 g/mol
Exact Mass391.17
IUPAC Name(3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCOCC(=O)N[C@@H]1CN(C(=O)Nc2ccccc2F)CC[C@@H]1c1nc(C)no1
InChIInChI=1S/C18H22FN5O4/c1-11-20-17(28-23-11)12-7-8-24(9-15(12)21-16(25)10-27-2)18(26)22-14-6-4-3-5-13(14)19/h3-6,12,15H,7-10H2,1-2H3,(H,21,25)(H,22,26)/t12-,15+/m0/s1
InChIKeyPHIIMKBVYFUUAD-SWLSCSKDSA-N
XLogP1.67
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 91905822) is (3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is COCC(=O)N[C@@H]1CN(C(=O)Nc2ccccc2F)CC[C@@H]1c1nc(C)no1.
What is the InChIKey of (3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is PHIIMKBVYFUUAD-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H22FN5O4/c1-11-20-17(28-23-11)12-7-8-24(9-15(12)21-16(25)10-27-2)18(26)22-14-6-4-3-5-13(14)19/h3-6,12,15H,7-10H2,1-2H3,(H,21,25)(H,22,26)/t12-,15+/m0/s1.
What are the key properties of (3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
(3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(2-fluorophenyl)-3-[(2-methoxyacetyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 91905822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).