(3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide

C26H35N3O3 — CID 95855546

IUPAC(3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C26H35N3O3/c1-3-27-25(31)26(13-6-14-29(18-26)24(30)15-20-7-4-5-8-20)17-22-16-23(28-32-22)21-11-9-19(2)10-12-21/h9-12,16,20H,3-8,13-15,17-18H2,1-2H3,(H,27,31)/t26-/m0/s1
InChIKeyQXJYRSAUCUTCML-SANMLTNESA-N
MW437.58 g/mol
LogP4.52
Rot. Bonds7

About (3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide

(3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 95855546) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is (3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID95855546
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name(3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C26H35N3O3/c1-3-27-25(31)26(13-6-14-29(18-26)24(30)15-20-7-4-5-8-20)17-22-16-23(28-32-22)21-11-9-19(2)10-12-21/h9-12,16,20H,3-8,13-15,17-18H2,1-2H3,(H,27,31)/t26-/m0/s1
InChIKeyQXJYRSAUCUTCML-SANMLTNESA-N
XLogP4.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide (CID 95855546) is (3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide is CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)CC2CCCC2)C1.
What is the InChIKey of (3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is QXJYRSAUCUTCML-SANMLTNESA-N. The full InChI is InChI=1S/C26H35N3O3/c1-3-27-25(31)26(13-6-14-29(18-26)24(30)15-20-7-4-5-8-20)17-22-16-23(28-32-22)21-11-9-19(2)10-12-21/h9-12,16,20H,3-8,13-15,17-18H2,1-2H3,(H,27,31)/t26-/m0/s1.
What are the key properties of (3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
(3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95855546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).